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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H9BrN2O4S
Molecular Weight 357.18
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-68730A FREE ACID

SMILES

OC(=O)C[C@@H]1CSC2=CC(Br)=CC3=C2N1C(=O)C(=O)N3

InChI

InChIKey=XXVWUDSZHNDHAU-ZCFIWIBFSA-N
InChI=1S/C12H9BrN2O4S/c13-5-1-7-10-8(2-5)20-4-6(3-9(16)17)15(10)12(19)11(18)14-7/h1-2,6H,3-4H2,(H,14,18)(H,16,17)/t6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H9BrN2O4S
Molecular Weight 357.18
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 09:41:15 GMT 2023
Edited
by admin
on Sat Dec 16 09:41:15 GMT 2023
Record UNII
OON9CY277Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-68730A FREE ACID
Common Name English
5H-PYRAZINO(1,2,3-DE)-1,4-BENZOTHIAZINE-3-ACETIC ACID, 9-BROMO-2,3,6,7-TETRAHYDRO-5,6-DIOXO-, (3R)-
Systematic Name English
5H-PYRAZINO(1,2,3-DE)-1,4-BENZOTHIAZINE-3-ACETIC ACID, 9-BROMO-2,3,6,7-TETRAHYDRO-5,6-DIOXO-, (R)-
Systematic Name English
(-)-CGP-68730A FREE ACID
Common Name English
Code System Code Type Description
PUBCHEM
54761854
Created by admin on Sat Dec 16 09:41:15 GMT 2023 , Edited by admin on Sat Dec 16 09:41:15 GMT 2023
PRIMARY
CAS
177537-85-8
Created by admin on Sat Dec 16 09:41:15 GMT 2023 , Edited by admin on Sat Dec 16 09:41:15 GMT 2023
PRIMARY
FDA UNII
OON9CY277Y
Created by admin on Sat Dec 16 09:41:15 GMT 2023 , Edited by admin on Sat Dec 16 09:41:15 GMT 2023
PRIMARY
DAILYMED
OON9CY277Y
Created by admin on Sat Dec 16 09:41:15 GMT 2023 , Edited by admin on Sat Dec 16 09:41:15 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY