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| CAS No.: | 38821-49-7 |
|---|---|
| Name: | Carbidopa |
| Molecular Structure: | |
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| Formula: | C10H16N2O5 |
| Molecular Weight: | 244.247 |
| Synonyms: | Benzenepropanoicacid, a-hydrazino-3,4-dihydroxy-a-methyl-, monohydrate, (S)-;Benzenepropanoic acid, a-hydrazino-3,4-dihydroxy-a-methyl-, monohydrate, (aS)- (9CI);Carbidopa monohydrate; |
| EINECS: | 642-905-9 |
| Density: | 1.42 g/cm3 |
| Boiling Point: | 528.7 °C at 760 mmHg |
| Flash Point: | 273.5 °C |
| PSA: | 125.04000 |
| LogP: | 0.97380 |
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Chemistry
Molecular Structure of Benzenepropanoic acid, a-hydrazinyl-3,4-dihydroxy-a-methyl-, hydrate (1:1), (aS)- (CAS NO.38821-49-7):
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IUPAC Name: (2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid hydrate
Molecular Weight: 244.24444 [g/mol]
Molecular Formula: C10H16N2O5
H-Bond Donor: 6
H-Bond Acceptor: 7
Density: 1.42 g/cm3
Flash Point: 273.5 °C
Enthalpy of Vaporization: 84.58 kJ/mol
Boiling Point: 528.7 °C at 760 mmHg
Vapour Pressure: 5.27E-12 mmHg at 25 °C
Classification Code: Anti-Dyskinesia Agents; Antiparkinson agents; Central Nervous System Agents; Dopamine agents; Drug / Therapeutic Agent; Enzyme inhibitors; Inhibitor [decarboxylase]; Neurotransmitter Agents
SMILES: O=C(O)C(NN)(Cc1cc(O)c(O)cc1)C.O
InChI: InChI=1/C10H14N2O4.H2O/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;/h2-4,12-14H,5,11H2,1H3,(H,15,16);1H2
InChIKey: QTAOMKOIBXZKND-UHFFFAOYAT
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 148mg/kg (148mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Toxicology and Applied Pharmacology. Vol. 29, Pg. 181, 1974. |
| mouse | LD50 | intravenous | 519mg/kg (519mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toxicology and Applied Pharmacology. Vol. 29, Pg. 181, 1974. |
| mouse | LD50 | oral | 1750mg/kg (1750mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Toxicology and Applied Pharmacology. Vol. 29, Pg. 181, 1974. |
| mouse | LD50 | subcutaneous | 4955mg/kg (4955mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 28, Pg. 116, 1976. |
| rabbit | LD | intravenous | > 600mg/kg (600mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION KIDNEY, URETER, AND BLADDER: HEMATURIA | Toxicology and Applied Pharmacology. Vol. 29, Pg. 181, 1974. |
| rat | LD50 | intraperitoneal | 352mg/kg (352mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Toxicology and Applied Pharmacology. Vol. 29, Pg. 181, 1974. |
| rat | LD50 | oral | 4810mg/kg (4810mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Toxicology and Applied Pharmacology. Vol. 29, Pg. 181, 1974. |
| rat | LD50 | subcutaneous | 3428mg/kg (3428mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Sankyo Kenkyusho Nempo. Annual Report of Sankyo Research Laboratories. Vol. 28, Pg. 116, 1976 |
Specification
Benzenepropanoic acid, a-hydrazinyl-3,4-dihydroxy-a-methyl-, hydrate (1:1), (aS)- (CAS NO.38821-49-7), its Synonyms are (-)-L-alpha-Hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acid monohydrate ; Benzenepropanoic acid, alpha-hydrazino-3,4-dihydroxy-alpha-methyl-, monohydrate, (S)- ; Carbidopa hydrate ; Carbidopa-1-wasser ; Lodosyn ; S(-)-alpha-Hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acid monohydrate ; Hydrocinnamic acid, (-)-L-alpha-hydrazino-3,4-dihydroxy-alpha-methyl-, monohydrate .