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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H17N3O4
Molecular Weight 375.3774
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORTADALAFIL

SMILES

[H][C@]12CC3=C(NC4=C3C=CC=C4)[C@H](N1C(=O)CNC2=O)C5=CC6=C(OCO6)C=C5

InChI

InChIKey=XHDLVMPUSXRZOS-FOIQADDNSA-N
InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q28156
Gene ID: 281972.0
Gene Symbol: PDE5A
Target Organism: Bos taurus (Bovine)
0.012 µM [IC50]
Name Type Language
NORTADALAFIL
Common Name English
DEMETHYLTADALAFIL
Common Name English
PYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOLE-1,4-DIONE, 6-(1,3-BENZODIOXOL-5-YL)-2,3,6,7,12,12A-HEXAHYDRO-, (6R,12AR)-
Systematic Name English
(+)-NORTADALAFIL
Common Name English
PYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOLE-1,4-DIONE, 6-(1,3-BENZODIOXOL-5-YL)-2,3,6,7,12,12A-HEXAHYDRO-, (6R-TRANS)-
Systematic Name English
(6R,12AR)-6-(1,3-BENZODIOXOL-5-YL)-2,3,6,7,12,12A-HEXAHYDROPYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOLE-1,4-DIONE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40431339
Created by admin on Sat Dec 16 11:25:12 GMT 2023 , Edited by admin on Sat Dec 16 11:25:12 GMT 2023
PRIMARY
PUBCHEM
9820973
Created by admin on Sat Dec 16 11:25:12 GMT 2023 , Edited by admin on Sat Dec 16 11:25:12 GMT 2023
PRIMARY
FDA UNII
5W59DMB3LD
Created by admin on Sat Dec 16 11:25:12 GMT 2023 , Edited by admin on Sat Dec 16 11:25:12 GMT 2023
PRIMARY
CAS
171596-36-4
Created by admin on Sat Dec 16 11:25:12 GMT 2023 , Edited by admin on Sat Dec 16 11:25:12 GMT 2023
PRIMARY