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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17N3O4
Molecular Weight 291.3025
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FURANOPYRIDINE OXIDATED PHA-543613 CARBOXYLIC ACID

SMILES

OC(=O)C1=C(O)C=NC(=C1)C(=O)N[C@H]2CN3CCC2CC3

InChI

InChIKey=GZXZQHLHYGTOFC-NSHDSACASA-N
InChI=1S/C14H17N3O4/c18-12-6-15-10(5-9(12)14(20)21)13(19)16-11-7-17-3-1-8(11)2-4-17/h5-6,8,11,18H,1-4,7H2,(H,16,19)(H,20,21)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H17N3O4
Molecular Weight 291.3025
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 16:33:52 UTC 2023
Edited
by admin
on Sat Dec 16 16:33:52 UTC 2023
Record UNII
I4GAS51BPA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FURANOPYRIDINE OXIDATED PHA-543613 CARBOXYLIC ACID
Common Name English
2-(((3R)-1-AZABICYCLO(2.2.2)OCT-3-YLAMINO)CARBONYL)-5-HYDROXY-4-PYRIDINECARBOXYLIC ACID
Common Name English
4-PYRIDINECARBOXYLIC ACID, 2-(((3R)-1-AZABICYCLO(2.2.2)OCT-3-YLAMINO)CARBONYL)-5-HYDROXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
146035731
Created by admin on Sat Dec 16 16:33:52 UTC 2023 , Edited by admin on Sat Dec 16 16:33:52 UTC 2023
PRIMARY
FDA UNII
I4GAS51BPA
Created by admin on Sat Dec 16 16:33:52 UTC 2023 , Edited by admin on Sat Dec 16 16:33:52 UTC 2023
PRIMARY
CAS
914081-25-7
Created by admin on Sat Dec 16 16:33:52 UTC 2023 , Edited by admin on Sat Dec 16 16:33:52 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE