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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H13BrN2O4
Molecular Weight 305.125
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-3-(3-BROMO-4,5-DIHYDROXYPHENYL)-2-HYDRAZINO-2-METHYLPROPANOIC ACID

SMILES

C[C@@](CC1=CC(O)=C(O)C(Br)=C1)(NN)C(O)=O

InChI

InChIKey=FHNPUJKHGIKUPC-JTQLQIEISA-N
InChI=1S/C10H13BrN2O4/c1-10(13-12,9(16)17)4-5-2-6(11)8(15)7(14)3-5/h2-3,13-15H,4,12H2,1H3,(H,16,17)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H13BrN2O4
Molecular Weight 305.125
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:54:33 UTC 2023
Edited
by admin
on Sat Dec 16 18:54:33 UTC 2023
Record UNII
VFC2H8CA32
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-3-(3-BROMO-4,5-DIHYDROXYPHENYL)-2-HYDRAZINO-2-METHYLPROPANOIC ACID
Systematic Name English
3-BROMO-.ALPHA.-HYDRAZINYL-4,5-DIHYDROXY-.ALPHA.-METHYLBENZENEPROPANOIC ACID
Systematic Name English
CARBIDOPA IMPURITY I [EP IMPURITY]
Common Name English
BENZENEPROPANOIC ACID, 3-BROMO-.ALPHA.-HYDRAZINYL-4,5-DIHYDROXY-.ALPHA.-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
VFC2H8CA32
Created by admin on Sat Dec 16 18:54:33 UTC 2023 , Edited by admin on Sat Dec 16 18:54:33 UTC 2023
PRIMARY
PUBCHEM
95162155
Created by admin on Sat Dec 16 18:54:33 UTC 2023 , Edited by admin on Sat Dec 16 18:54:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID30747219
Created by admin on Sat Dec 16 18:54:33 UTC 2023 , Edited by admin on Sat Dec 16 18:54:33 UTC 2023
PRIMARY
CAS
1246819-09-9
Created by admin on Sat Dec 16 18:54:33 UTC 2023 , Edited by admin on Sat Dec 16 18:54:33 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP