U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C12H18N2O4
Molecular Weight 254.2823
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Carbidopa Ethyl Ester, (RS)-

SMILES

CCOC(=O)C(C)(CC1=CC=C(O)C(O)=C1)NN

InChI

InChIKey=IVYOMTNVXXPNCD-UHFFFAOYSA-N
InChI=1S/C12H18N2O4/c1-3-18-11(17)12(2,14-13)7-8-4-5-9(15)10(16)6-8/h4-6,14-16H,3,7,13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H18N2O4
Molecular Weight 254.2823
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:54:39 GMT 2025
Edited
by admin
on Wed Apr 02 17:54:39 GMT 2025
Record UNII
DQF3KCB25Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Carbidopa Ethyl Ester, (RS)-
Common Name English
Benzenepropanoic acid, ?-hydrazino-3,4-dihydroxy-?-methyl-, ethyl ester
Preferred Name English
Ethyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
Systematic Name English
Benzenepropanoic acid, ?-hydrazinyl-3,4-dihydroxy-?-methyl-, ethyl ester
Systematic Name English
Hydrocinnamic acid, ?-hydrazino-3,4-dihydroxy-?-methyl-, ethyl ester
Systematic Name English
Ethyl ?-hydrazinyl-3,4-dihydroxy-?-methylbenzenepropanoate
Systematic Name English
Code System Code Type Description
FDA UNII
DQF3KCB25Z
Created by admin on Wed Apr 02 17:54:39 GMT 2025 , Edited by admin on Wed Apr 02 17:54:39 GMT 2025
PRIMARY
PUBCHEM
21964632
Created by admin on Wed Apr 02 17:54:39 GMT 2025 , Edited by admin on Wed Apr 02 17:54:39 GMT 2025
PRIMARY
CAS
91908-71-3
Created by admin on Wed Apr 02 17:54:39 GMT 2025 , Edited by admin on Wed Apr 02 17:54:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID90620938
Created by admin on Wed Apr 02 17:54:39 GMT 2025 , Edited by admin on Wed Apr 02 17:54:39 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE