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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H17N3O3
Molecular Weight 287.3138
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHA-543613 OXIDE (QUINUCLIDINE NITROGEN OXIDE)

SMILES

[O-][N+]12CCC(CC1)[C@H](C2)NC(=O)C3=CC4=C(OC=C4)C=N3

InChI

InChIKey=PZHMSMZUPNXYMC-GHIVCGBISA-N
InChI=1S/C15H17N3O3/c19-15(12-7-11-3-6-21-14(11)8-16-12)17-13-9-18(20)4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t10?,13-,18?/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H17N3O3
Molecular Weight 287.3138
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 16:13:52 UTC 2023
Edited
by admin
on Sat Dec 16 16:13:52 UTC 2023
Record UNII
3J4F5Y31BN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHA-543613 OXIDE (QUINUCLIDINE NITROGEN OXIDE)
Common Name English
FURO(2,3-C)PYRIDINE-5-CARBOXAMIDE, N-((3R)-1-OXIDO-1-AZABICYCLO(2.2.2)OCT-3-YL)-
Systematic Name English
N-((3R)-1-OXIDO-1-AZABICYCLO(2.2.2)OCT-3-YL)FURO(2,3-C)PYRIDINE-5-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
914081-26-8
Created by admin on Sat Dec 16 16:13:53 UTC 2023 , Edited by admin on Sat Dec 16 16:13:53 UTC 2023
PRIMARY
FDA UNII
3J4F5Y31BN
Created by admin on Sat Dec 16 16:13:53 UTC 2023 , Edited by admin on Sat Dec 16 16:13:53 UTC 2023
PRIMARY
PUBCHEM
146035732
Created by admin on Sat Dec 16 16:13:53 UTC 2023 , Edited by admin on Sat Dec 16 16:13:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE