Carbidopa hydrate

Base Information

• Chemical Name: Carbidopa hydrate
• CAS No.: 38821-49-7
• Molecular Formula: C₁₀H₁₄N₂O₄*H₂O
• Molecular Weight: 244.247
• Hs Code.: 2928002500
• European Community (EC) Number: 642-905-9
• UNII: MNX7R8C5VO
• DSSTox Substance ID: DTXSID50904589
• Wikidata: Q414225
• NCI Thesaurus Code: C47431
• RXCUI: 2019
• Pharos Ligand ID: LSRVJ4KDG6SY
• Metabolomics Workbench ID: 42598
• ChEMBL ID: CHEMBL1200748
• Mol file: 38821-49-7.mol

Synonyms:Carbidopa;Carbidopa, (R)-Isomer;Carbidopa, (S)-Isomer;Lodosin;Lodosyn;Methyldopahydrazine;MK 485;MK 486;MK-485;MK-486;MK485;MK486

Chemical Property of Carbidopa hydrate

Chemical Property:

• Vapor Pressure: 5.27E-12mmHg at 25°C
• Boiling Point: 528.7 °C at 760 mmHg
• Flash Point: 273.5 °C
• PSA: 125.04000
• Density: 1.42 g/cm³
• LogP: 0.97380
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Slightly soluble in water, very slightly soluble in ethanol (96 per cent), practically insoluble in methylene chloride. It dissolves in dilute solutions of mineral acids.
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 244.10592162
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

Carbidopa Monohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O
• Isomeric SMILES: C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O
• Recent ClinicalTrials: Histaminergic Basis of Fatigue in Multiple Sclerosis
• Recent EU Clinical Trials: Randomized, double-blind, placebo-controlled crossover study to validate finger tapping tasks for the quantification of levodopa/carbidopa effects in Parkinson’s Disease patients.
• Uses: Carbidopa ((S)-(-)-Carbidopa) monohydrate, a peripheral decarboxylase inhibitor, can be used for the research of Parkinson's disease. Carbidopa monohydrate is a selective aryl hydrocarbon receptor (AhR) modulator. Carbidopa monohydrate inhibits pancreatic cancer cell and tumor growth. Carbidopa may be used as a pharmaceutical reference standard for the determination of the analyte in pharmaceutical formulations by chromatography techniques.

Technology Process of Carbidopa hydrate

There total 3 articles about Carbidopa hydrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid hydrobromide (1426847-87-1) → carbidopa monohydrate (38821-49-7)

Guidance literature:

With dimethyl amine; In tetrahydrofuran; isopropyl alcohol; pH=6.4;

DOI:10.1021/ol400136y

Reference yield:

L-DOPA ethyl ester (37178-37-3,763906-29-2) → carbidopa monohydrate (38821-49-7)

Guidance literature:

Reference yield:

→ carbidopa monohydrate (38821-49-7)

Guidance literature:

upstream raw materials:

L-DOPA ethyl ester

(S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid hydrobromide

Refernces

• 1、 -. "Pharmaceutical compositions containing an effervescent acid-base couple". . . Retrieved 2008/06/13.