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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21N2O3.Na
Molecular Weight 348.3714
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUMADIZONE SODIUM, (R)-

SMILES

[Na+].CCCC[C@@H](C([O-])=O)C(=O)N(NC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=JSKMFBFCHQMLJR-UNTBIKODSA-M
InChI=1S/C19H22N2O3.Na/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;/h4-13,17,20H,2-3,14H2,1H3,(H,23,24);/q;+1/p-1/t17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H21N2O3
Molecular Weight 325.3816
Charge -1
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 01:55:01 GMT 2023
Edited
by admin
on Sat Dec 16 01:55:01 GMT 2023
Record UNII
5G0FTW68JM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUMADIZONE SODIUM, (R)-
Common Name English
PROPANEDIOIC ACID, 2-BUTYL-, 1-(1,2-DIPHENYLHYDRAZIDE), SODIUM SALT (1:1), (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
119026170
Created by admin on Sat Dec 16 01:55:01 GMT 2023 , Edited by admin on Sat Dec 16 01:55:01 GMT 2023
PRIMARY
FDA UNII
5G0FTW68JM
Created by admin on Sat Dec 16 01:55:01 GMT 2023 , Edited by admin on Sat Dec 16 01:55:01 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER