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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H17N3O2S.ClH
Molecular Weight 339.84
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PUMOSETRAG HYDROCHLORIDE

SMILES

Cl.O=C(N[C@H]1CN2CCC1CC2)C3=CNC4=C(SC=C4)C3=O

InChI

InChIKey=XGVADZZDFADEOO-YDALLXLXSA-N
InChI=1S/C15H17N3O2S.ClH/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18;/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20);1H/t12-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PUMOSETRAG HYDROCHLORIDE
Common Name English
DDP-773
Code English
MKC-773
Code English
THIENO(3,2-B)PYRIDINE-6-CARBOXAMIDE, N-(3R)-1-AZABICYCLO(2.2.2)OCT-3-YL-4,7-DIHYDRO-7-OXO-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
194093-42-0
Created by admin on Sat Dec 16 05:14:35 UTC 2023 , Edited by admin on Sat Dec 16 05:14:35 UTC 2023
PRIMARY
FDA UNII
UVW44TKU66
Created by admin on Sat Dec 16 05:14:35 UTC 2023 , Edited by admin on Sat Dec 16 05:14:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID00173026
Created by admin on Sat Dec 16 05:14:35 UTC 2023 , Edited by admin on Sat Dec 16 05:14:35 UTC 2023
PRIMARY
DRUG BANK
DBSALT002188
Created by admin on Sat Dec 16 05:14:35 UTC 2023 , Edited by admin on Sat Dec 16 05:14:35 UTC 2023
PRIMARY
PUBCHEM
154103
Created by admin on Sat Dec 16 05:14:35 UTC 2023 , Edited by admin on Sat Dec 16 05:14:35 UTC 2023
PRIMARY