Basic information
- CAS
28861-00-9- Standard SMILES
COc1ccc(C[C@](C)(NC(N)=O)C(=O)O)cc1OC- InChIKey
ZAWWRCDFZPMIQT-ZDUSSCGKSA-N- Molecular formula
- C13H18N2O5
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.12157168
Names & identifiers
- Preferred name
- Carbidopa hydantoic acid
- IUPAC
- (2S)-2-(carbamoylamino)-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
- English name
- Hydantoic acid
- Molecular formula
- C13H18N2O5
- Molecular weight
- 282.29
Names & synonyms
28861-00-9Carbidopa hydantoic acidA66PDY34A3EC 608-271-2L-Tyrosine, N-(aminocarbonyl)-3-methoxy-O,alpha-dimethyl-N-(Aminocarbonyl)-3-methoxy-O,alpha-dimethyl-L-tyrosineL-TYROSINE, N-(AMINOCARBONYL)-3-METHOXY-O,.ALPHA.-DIMETHYL-L-.ALPHA.-METHYL-.ALPHA.-UREIDO-.BETA.-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDRefChem:574171N-(AMINOCARBONYL)-3-METHOXY-O,.ALPHA.-DIMETHYL-L-TYROSINEL-ALPHA-METHYL-ALPHA-UREIDO-BETA-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID(S)-3-(3,4-dimethoxyphenyl)-2-methyl-2-ureidopropanoic acid
Show more names
AKOS B029823HYDANTOIC ACIDN-CARBAMYLGLYCINEReaxys ID: 2877155N-CARBAMOYLGLYCINEN-CARBOXYMETHYLUREAN-(Aminocarbonyl)-L-α-Methyl DOPAN-(Aminocarbonyl)-3-methoxy-O,α-dimethyl-L-tyrosineTyrosine, N-(aminocarbonyl)-3-methoxy-O,α-dimethyl-L-Tyrosine, N-(aminocarbonyl)-3-methoxy-O,α-dimethyl-
(s)-2-(aminocarbonyl)-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid(2S)-2-(CARBAMOYLAMINO)-3-(3,4-DIMETHOXYPHENYL)-2-METHYLPROPANOIC ACIDN-(Aminocarbonyl)-3-methoxy-O,?-dimethyl-L-tyrosineCarbidopa Impurity 47UNII-A66PDY34A3N-(Aminocarbonyl)-3-methoxy-O,|A-dimethyl-L-tyrosineSCHEMBL27684774Tyrosine, N-(aminocarbonyl)-3-methoxy-o,alpha-dimethyl-
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 463.5 · 463.5±45.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- 2 · 2-8°C
- pka
- 3.08 · 3.08±0.10(Predicted)
- form
- Powder
- LogP
- 0.622 at · 0.622 at 25℃
- CAS DataBase Reference
- 28861 · 28861-00-9(CAS DataBase Reference)
- FDA UNII
- 66 PDY34A3 · A66PDY34A3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Tyrosine, N-(aminocarbonyl)-3-methoxy-O,α-dimethyl- (EC: 608-271-2)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- MB7660000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H335-H319-H315-H302
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesN-(Aminocarbonyl)-3-methoxy-O,α-dimethyl-L-tyrosine is an intermediate used in the synthesis of (S)-(-)-Carbidopa (C175985), which is a peripheral decarboxylase inhibitor that is commonly used in combination with L-DOPA (D533751) for treatment of Parkinsonism. S(-)-Carbidopa ( has also been shown to prolong the elimination half-life of L-DOPA from blood plasma and skeletal muscle.
Suppliers25 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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