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D,L Carbidopa structure

D,L Carbidopa

  • CAS:302-53-4
  • MW:226.23
  • MF:C10H14N2O4
An inhibitor of aromatic amino acid decarboxylase D,L CarbidopaSupplier
 
1. Names and Identifiers
1.1 Name
D,L Carbidopa
1.2 Synonyms
(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid; (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid; (S)-CARBIDOPA; a-Hydrazino-3,4-dihydroxy-a-methyl-benzenepropanoic Acid; a-Hydrazino-a-methyldopa; Benzenepropanoic acid, α-hydrazino-3,4-dihydroxy-α-methyl-; CARBIDOPA EDMF; CARBIDOPAANHYDROUS; CarbidopaUsp28/Ep5; DL-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropionic acid; DL-a-Hydrazino-3,4-dihydroxy-a-methylhydrocinnamic Acid; dl-MK 485; DL-α-Hydrazino-3,4-dihydroxy-α-methylhydrocinnamic acid; Hydrazino-a-methyldopa; KINSON; L-3-(3,4; mk486; n-aminomethyldopa; NSC 92521;
1.3 CAS No.
302-53-4
1.4 CID
2563
1.5 Molecular Formula
C10H14N2O4
1.6 Inchi
InChI=1S/C10H14N2O4/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)
1.7 InChkey
TZFNLOMSOLWIDK-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN
1.9 Isomers Smiles
CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN
2. Properties
2.1 Chemical Properties
Off-White to Grey Powder
2.2 pKa
3.40±0.14(Predicted)
3. Use and Manufacturing
3.1 Usage
An inhibitor of aromatic amino acid decarboxylase D,L CarbidopaSupplier
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Synthesis Route
302-53-4Total: 1 Synthesis Route
 
934371-48-9
934371-48-9 2 Suppliers
 
302-53-4
302-53-4 6 Suppliers
6. Precursor and Product
precursor:
product:
7. Computed Properties
  • Molecular Weight:226.23g/mol
  • Molecular Formula:C10H14N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:-2.2
  • XLogP3-AA:226.09535693
  • Monoisotopic Mass:226.09535693
  • Complexity:261
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:116
  • Heavy Atom Count::16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADccBzOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAYCAAADIyBmAAyDoBiAgCIAiDSCAACAAAgIAIYqAGGiIgLJjKCkROAcAEk0BEJmAeY2PGOIAABAAAAQABAAAIAAACAAAAAAAAAAA==
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9. Realated Product Infomation
 
 
 
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