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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H9O5Sb
Molecular Weight 318.925
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(3-(DIHYDROXYOXIDOSTIBINO)PHENYL)-2-PROPENOIC ACID

SMILES

OC(=O)\C=C\C1=CC=CC(=C1)[Sb](O)(O)=O

InChI

InChIKey=ZTQRMGDLUGQTTF-MNPOOLNOSA-L
InChI=1S/C9H7O2.2H2O.O.Sb/c10-9(11)7-6-8-4-2-1-3-5-8;;;;/h1-2,4-7H,(H,10,11);2*1H2;;/q;;;;+2/p-2/b7-6+;;;;

HIDE SMILES / InChI

Molecular Formula C9H9O5Sb
Molecular Weight 318.925
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:00:43 UTC 2023
Edited
by admin
on Sat Dec 16 08:00:43 UTC 2023
Record UNII
X1J63F333E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3-(DIHYDROXYOXIDOSTIBINO)PHENYL)-2-PROPENOIC ACID
Systematic Name English
NSC-13778
Code English
2-PROPENOIC ACID, 3-(3-(DIHYDROXYOXIDOSTIBINO)PHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5351653
Created by admin on Sat Dec 16 08:00:43 UTC 2023 , Edited by admin on Sat Dec 16 08:00:43 UTC 2023
PRIMARY
CAS
501444-04-8
Created by admin on Sat Dec 16 08:00:43 UTC 2023 , Edited by admin on Sat Dec 16 08:00:43 UTC 2023
PRIMARY
NSC
13778
Created by admin on Sat Dec 16 08:00:43 UTC 2023 , Edited by admin on Sat Dec 16 08:00:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID701319322
Created by admin on Sat Dec 16 08:00:43 UTC 2023 , Edited by admin on Sat Dec 16 08:00:43 UTC 2023
PRIMARY
FDA UNII
X1J63F333E
Created by admin on Sat Dec 16 08:00:43 UTC 2023 , Edited by admin on Sat Dec 16 08:00:43 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY