Phenylpropanoids and polyketides
Phenylpropanoids and polyketides
Filtered Search Results
Minocycline hydrochloride, Tocris Bioscience™
CAS: 13614-98-7 Molecular Formula: C23H28ClN3O7 Molecular Weight (g/mol): 493.94 MDL Number: MFCD00083669 InChI Key: KDLQIOPKJDNQIM-WUURTAMISA-N Synonym: minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino PubChem CID: 54685925 IUPAC Name: hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride SMILES: [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C
PubChem CID | 54685925 |
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CAS | 13614-98-7 |
Molecular Weight (g/mol) | 493.94 |
MDL Number | MFCD00083669 |
SMILES | [H+].[Cl-].CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C |
Synonym | minocycline hydrochloride,minocycline hcl,minomycin,minocin,minocycline chloride,arestin,vectrin,minomax,periocline,tri-mino |
IUPAC Name | hydrogen (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-1,2,3,4,4a,5,5a,6,12,12a-decahydrotetracene-1,3,12-trione chloride |
InChI Key | KDLQIOPKJDNQIM-WUURTAMISA-N |
Molecular Formula | C23H28ClN3O7 |
Xanthohumol, Tocris Bioscience™
CAS: 6754-58-1 Molecular Formula: C21H22O5 Molecular Weight (g/mol): 354.402 InChI Key: ORXQGKIUCDPEAJ-YRNVUSSQSA-N Synonym: xanthohumol,1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,unii-t4467yt1nt,2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone,1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl-2-propen-1-one,2e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,e-1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl propenone,e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-enyl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,xanthohumol from hop humulus lupulus,2',4,4'-trihydroxy-3'-prenyl-6'-methoxychalcone PubChem CID: 639665 ChEBI: CHEBI:66331 IUPAC Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one SMILES: CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C
PubChem CID | 639665 |
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CAS | 6754-58-1 |
Molecular Weight (g/mol) | 354.402 |
ChEBI | CHEBI:66331 |
SMILES | CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
Synonym | xanthohumol,1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,unii-t4467yt1nt,2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone,1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl-2-propen-1-one,2e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-en-1-yl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,e-1-2,4-dihydroxy-6-methoxy-3-3-methyl-2-butenyl phenyl-3-4-hydroxyphenyl propenone,e-1-2,4-dihydroxy-6-methoxy-3-3-methylbut-2-enyl phenyl-3-4-hydroxyphenyl prop-2-en-1-one,xanthohumol from hop humulus lupulus,2',4,4'-trihydroxy-3'-prenyl-6'-methoxychalcone |
IUPAC Name | (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
InChI Key | ORXQGKIUCDPEAJ-YRNVUSSQSA-N |
Molecular Formula | C21H22O5 |
Entacapone, Tocris Bioscience™
CAS: 130929-57-6 Molecular Formula: C14H15N3O5 Molecular Weight (g/mol): 305.29 MDL Number: MFCD00866580 InChI Key: JRURYQJSLYLRLN-BJMVGYQFSA-N Synonym: entacapone,comtan,comtess,entacaponum,entacapona,entacaponum inn-latin,entacapona inn-spanish,entacom,entacapone usan:inn,2-cyano-n,n-diethyl-3-3,4-dihydroxy-5-nitrophenyl propenamide PubChem CID: 5281081 ChEBI: CHEBI:4798 IUPAC Name: (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide SMILES: CCN(CC)C(=O)C(=C\C1=CC(O)=C(O)C(=C1)[N+]([O-])=O)\C#N
PubChem CID | 5281081 |
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CAS | 130929-57-6 |
Molecular Weight (g/mol) | 305.29 |
ChEBI | CHEBI:4798 |
MDL Number | MFCD00866580 |
SMILES | CCN(CC)C(=O)C(=C\C1=CC(O)=C(O)C(=C1)[N+]([O-])=O)\C#N |
Synonym | entacapone,comtan,comtess,entacaponum,entacapona,entacaponum inn-latin,entacapona inn-spanish,entacom,entacapone usan:inn,2-cyano-n,n-diethyl-3-3,4-dihydroxy-5-nitrophenyl propenamide |
IUPAC Name | (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide |
InChI Key | JRURYQJSLYLRLN-BJMVGYQFSA-N |
Molecular Formula | C14H15N3O5 |
Tesaglitazar, Tocris Bioscience™
CAS: 251565-85-2 Molecular Formula: C20H24O7S Molecular Weight (g/mol): 408.47 MDL Number: MFCD07784004 InChI Key: CXGTZJYQWSUFET-IBGZPJMESA-N Synonym: tesaglitazar,galida,s-2-ethoxy-3-4-4-methylsulfonyl oxy phenethoxy phenyl propanoic acid,s-2-ethoxy-3-4-2-4-methanesulfonyloxy-phenyl-ethoxy-phenyl-propionic acid,s-2-ethoxy-3-4-2-4-methanesulfonyloxyphenyl ethoxy phenyl propionic acid,2s-2-ethoxy-3-4-2-4-methylsulfonyloxyphenyl ethoxy phenyl propanoic acid,s-2-ethoxy-3-4-2-4-methanesulfonyloxyphenyl ethoxy phenyl propanoic acid,2s-2-ethoxy-3-4-2-4-methanesulfonyloxy phenyl ethoxy phenyl propanoic acid,2s-2-ethoxy-3-4-2-4-methylsulfonyl oxy phenyl ethoxy phenyl propanoic acid,benzenepropanoic acid, alpha-ethoxy-4-2-4-methylsulfonyl oxy phenyl ethoxy-, alphas PubChem CID: 208901 IUPAC Name: (2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)phenyl]ethoxy}phenyl)propanoic acid SMILES: CCO[C@@H](CC1=CC=C(OCCC2=CC=C(OS(C)(=O)=O)C=C2)C=C1)C(O)=O
PubChem CID | 208901 |
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CAS | 251565-85-2 |
Molecular Weight (g/mol) | 408.47 |
MDL Number | MFCD07784004 |
SMILES | CCO[C@@H](CC1=CC=C(OCCC2=CC=C(OS(C)(=O)=O)C=C2)C=C1)C(O)=O |
Synonym | tesaglitazar,galida,s-2-ethoxy-3-4-4-methylsulfonyl oxy phenethoxy phenyl propanoic acid,s-2-ethoxy-3-4-2-4-methanesulfonyloxy-phenyl-ethoxy-phenyl-propionic acid,s-2-ethoxy-3-4-2-4-methanesulfonyloxyphenyl ethoxy phenyl propionic acid,2s-2-ethoxy-3-4-2-4-methylsulfonyloxyphenyl ethoxy phenyl propanoic acid,s-2-ethoxy-3-4-2-4-methanesulfonyloxyphenyl ethoxy phenyl propanoic acid,2s-2-ethoxy-3-4-2-4-methanesulfonyloxy phenyl ethoxy phenyl propanoic acid,2s-2-ethoxy-3-4-2-4-methylsulfonyl oxy phenyl ethoxy phenyl propanoic acid,benzenepropanoic acid, alpha-ethoxy-4-2-4-methylsulfonyl oxy phenyl ethoxy-, alphas |
IUPAC Name | (2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)phenyl]ethoxy}phenyl)propanoic acid |
InChI Key | CXGTZJYQWSUFET-IBGZPJMESA-N |
Molecular Formula | C20H24O7S |
iMDK, Tocris Bioscience™
CAS: 881970-80-5 Molecular Formula: C21H13FN2O2S Molecular Weight (g/mol): 376.405 InChI Key: IWFKQTWYILKFGE-UHFFFAOYSA-N Synonym: imdk,3-2-4-fluorobenzyl imidazo 2,1-b 1,3 thiazol-6-yl-2h-chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b thiazol-6-yl-2h-1-benzopyran-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3 thiazol-6-yl chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3-thiazolin-6-yl chromen-2-one PubChem CID: 15991416 IUPAC Name: 3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F
PubChem CID | 15991416 |
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CAS | 881970-80-5 |
Molecular Weight (g/mol) | 376.405 |
SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F |
Synonym | imdk,3-2-4-fluorobenzyl imidazo 2,1-b 1,3 thiazol-6-yl-2h-chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b thiazol-6-yl-2h-1-benzopyran-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3 thiazol-6-yl chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3-thiazolin-6-yl chromen-2-one |
IUPAC Name | 3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one |
InChI Key | IWFKQTWYILKFGE-UHFFFAOYSA-N |
Molecular Formula | C21H13FN2O2S |
4-Hydroxy-3-methoxycinnamic acid, Mixture of isomers, ≥99.0% (HPLC), MilliporeSigma™ Supelco™
4-Hydroxy-3-methoxycinnamic acid is a ubiquitous plant constituent primarily occurring in seeds and leaves. It arises from the metabolism of phenylalanine and tyrosine.
trans-Cinnamic Acid, Analytical Standard, ≥98.0% (HPLC), MilliporeSigma™ Supelco™
trans-Cinnamic acid occurs in plants, formed via deamination of L-phenylalanine in the presence of enzymatic catalyst, L-phenylalanine ammonia-lyase.
SB 366791, Tocris Bioscience™
CAS: 472981-92-3 Molecular Formula: C16H14ClNO2 Molecular Weight (g/mol): 287.743 InChI Key: RYAMDQKWNKKFHD-JXMROGBWSA-N Synonym: 2e-3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide,n-3-methoxyphenyl-4-chlorocinnamide,n-3-methoxyphenyl-4-chlorocinnamanilide,e-3-4-chlorophenyl-n-3-methoxyphenyl acrylamide,ftalidap 27,3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide,2-propenamide, 3-4-chlorophenyl-n-3-methoxyphenyl,sb hplc , powder,e-3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide PubChem CID: 667594 IUPAC Name: (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide SMILES: COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl
PubChem CID | 667594 |
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CAS | 472981-92-3 |
Molecular Weight (g/mol) | 287.743 |
SMILES | COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl |
Synonym | 2e-3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide,n-3-methoxyphenyl-4-chlorocinnamide,n-3-methoxyphenyl-4-chlorocinnamanilide,e-3-4-chlorophenyl-n-3-methoxyphenyl acrylamide,ftalidap 27,3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide,2-propenamide, 3-4-chlorophenyl-n-3-methoxyphenyl,sb hplc , powder,e-3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide |
IUPAC Name | (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide |
InChI Key | RYAMDQKWNKKFHD-JXMROGBWSA-N |
Molecular Formula | C16H14ClNO2 |
MilliporeSigma™ 7-Amino-4-methylcoumarin, Calbiochem™,
CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methyl-2H-chromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12
PubChem CID | 92249 |
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CAS | 26093-31-2 |
Molecular Weight (g/mol) | 175.19 |
ChEBI | CHEBI:51771 |
MDL Number | MFCD00006868 |
SMILES | CC1=CC(=O)OC2=CC(N)=CC=C12 |
Synonym | 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x |
IUPAC Name | 7-amino-4-methyl-2H-chromen-2-one |
InChI Key | GLNDAGDHSLMOKX-UHFFFAOYSA-N |
Molecular Formula | C10H9NO2 |
PD 150606, Tocris Bioscience™
CAS: 179528-45-1 Molecular Formula: C9H7IO2S Molecular Weight (g/mol): 306.117 InChI Key: DJCVSFWGKYHMKH-YVMONPNESA-N Synonym: 3-4-iodophenyl-2-mercapto-z-2-propenoic acid,2z-3-4-iodophenyl-2-sulfanylprop-2-enoic acid,4'-iodo-2-mercaptocinnamic acid,z-3-4-iodophenyl-2-mercaptoacrylic acid,pd hplc,z-3-4-iodophenyl-2-mercapto-2-propenoic acid,2z-3-4-iodophenyl-2-mercapto-2-propenoic acid,z-3-4-iodophenyl-2-sulfanyl-prop-2-enoic acid PubChem CID: 9839500 IUPAC Name: (Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid SMILES: C1=CC(=CC=C1C=C(C(=O)O)S)I
PubChem CID | 9839500 |
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CAS | 179528-45-1 |
Molecular Weight (g/mol) | 306.117 |
SMILES | C1=CC(=CC=C1C=C(C(=O)O)S)I |
Synonym | 3-4-iodophenyl-2-mercapto-z-2-propenoic acid,2z-3-4-iodophenyl-2-sulfanylprop-2-enoic acid,4'-iodo-2-mercaptocinnamic acid,z-3-4-iodophenyl-2-mercaptoacrylic acid,pd hplc,z-3-4-iodophenyl-2-mercapto-2-propenoic acid,2z-3-4-iodophenyl-2-mercapto-2-propenoic acid,z-3-4-iodophenyl-2-sulfanyl-prop-2-enoic acid |
IUPAC Name | (Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid |
InChI Key | DJCVSFWGKYHMKH-YVMONPNESA-N |
Molecular Formula | C9H7IO2S |
Paraffin, NF, Spectrum™ Chemical
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CAS: 8002-74-2 Molecular Formula: C21H27NO3 Molecular Weight (g/mol): 341.45 InChI Key: JWHAUXFOSRPERK-UHFFFAOYNA-N IUPAC Name: 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one SMILES: CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1
CAS | 8002-74-2 |
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Molecular Weight (g/mol) | 341.45 |
SMILES | CCCNCC(O)COC1=CC=CC=C1C(=O)CCC1=CC=CC=C1 |
IUPAC Name | 1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one |
InChI Key | JWHAUXFOSRPERK-UHFFFAOYNA-N |
Molecular Formula | C21H27NO3 |
Esculin, Spectrum™ Chemical
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CAS: 531-75-9
CAS | 531-75-9 |
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Ch 55, Tocris Bioscience™
CAS: 110368-33-7 Molecular Formula: C24H28O3 Molecular Weight (g/mol): 364.485 InChI Key: FOUVTBKPJRMLPE-FMIVXFBMSA-N Synonym: 3,5-di-tert-butylchalcone,4-1e-3-3,5-di-tert-butylphenyl-3-oxoprop-1-en-1-yl benzoic acid,4-3-3,5-di-t-butylphenyl-3-oxo-1-propenyl benzoic acid,e-4-3-3,5-bis 1,1-dimethylethyl phenyl-3-oxo-1-propenyl benzoic acid,benzoic acid, 4-3-3,5-bis 1,1-dimethylethyl phenyl-3-oxo-1-propenyl-, e,3,5-di-tert-butylchalcone-4'-carboxylic acid,e-4-3,5-di-t-butylphenyl-3-oxopropenyl benzoic acid,4-3-3,5-di-tert-butylphenyl-3-oxo-1-propenyl benzoic acid,4-e-3-3,5-ditert-butylphenyl-3-oxo-prop-1-enyl benzoic acid,4-e-3-3,5-ditert-butylphenyl-3-oxoprop-1-enyl benzoic acid PubChem CID: 6184667 IUPAC Name: 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C(C)(C)C
PubChem CID | 6184667 |
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CAS | 110368-33-7 |
Molecular Weight (g/mol) | 364.485 |
SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C(C)(C)C |
Synonym | 3,5-di-tert-butylchalcone,4-1e-3-3,5-di-tert-butylphenyl-3-oxoprop-1-en-1-yl benzoic acid,4-3-3,5-di-t-butylphenyl-3-oxo-1-propenyl benzoic acid,e-4-3-3,5-bis 1,1-dimethylethyl phenyl-3-oxo-1-propenyl benzoic acid,benzoic acid, 4-3-3,5-bis 1,1-dimethylethyl phenyl-3-oxo-1-propenyl-, e,3,5-di-tert-butylchalcone-4'-carboxylic acid,e-4-3,5-di-t-butylphenyl-3-oxopropenyl benzoic acid,4-3-3,5-di-tert-butylphenyl-3-oxo-1-propenyl benzoic acid,4-e-3-3,5-ditert-butylphenyl-3-oxo-prop-1-enyl benzoic acid,4-e-3-3,5-ditert-butylphenyl-3-oxoprop-1-enyl benzoic acid |
IUPAC Name | 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxoprop-1-enyl]benzoic acid |
InChI Key | FOUVTBKPJRMLPE-FMIVXFBMSA-N |
Molecular Formula | C24H28O3 |
(S)-(-)-Carbidopa, Tocris Bioscience™
CAS: 28860-95-9 Molecular Formula: C10H14N2O4 Molecular Weight (g/mol): 226.232 InChI Key: TZFNLOMSOLWIDK-JTQLQIEISA-N Synonym: carbidopa,lodosyn,n-aminomethyldopa,carbidopum,s---carbidopa,s-carbidopa,alpha-methyldopahydrazine,l-alpha-methyldopahydrazine,carbidopa anhydrous PubChem CID: 34359 ChEBI: CHEBI:39585 IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN
PubChem CID | 34359 |
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CAS | 28860-95-9 |
Molecular Weight (g/mol) | 226.232 |
ChEBI | CHEBI:39585 |
SMILES | CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN |
Synonym | carbidopa,lodosyn,n-aminomethyldopa,carbidopum,s---carbidopa,s-carbidopa,alpha-methyldopahydrazine,l-alpha-methyldopahydrazine,carbidopa anhydrous |
IUPAC Name | (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid |
InChI Key | TZFNLOMSOLWIDK-JTQLQIEISA-N |
Molecular Formula | C10H14N2O4 |