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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H33N3O4
Molecular Weight 487.59
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-OCTYL NORTADALAFIL

SMILES

[H][C@]12CC3=C(NC4=CC=CC=C34)[C@H](N1C(=O)CN(CCCCCCCC)C2=O)C5=CC=C6OCOC6=C5

InChI

InChIKey=JIMWYJMUPCVOFA-QDPGVEIFSA-N
InChI=1S/C29H33N3O4/c1-2-3-4-5-6-9-14-31-17-26(33)32-23(29(31)34)16-21-20-10-7-8-11-22(20)30-27(21)28(32)19-12-13-24-25(15-19)36-18-35-24/h7-8,10-13,15,23,28,30H,2-6,9,14,16-18H2,1H3/t23-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H33N3O4
Molecular Weight 487.59
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:20:09 UTC 2023
Edited
by admin
on Sat Dec 16 10:20:09 UTC 2023
Record UNII
CV0VX49V8F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-OCTYL NORTADALAFIL
Common Name English
J2.653.876I
Code 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-2-OCTYL-, (6R,12AR)-
Systematic Name English
N-OCTYLNORTADALAFIL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00858245
Created by admin on Sat Dec 16 10:20:09 UTC 2023 , Edited by admin on Sat Dec 16 10:20:09 UTC 2023
PRIMARY
FDA UNII
CV0VX49V8F
Created by admin on Sat Dec 16 10:20:09 UTC 2023 , Edited by admin on Sat Dec 16 10:20:09 UTC 2023
PRIMARY
CAS
1173706-35-8
Created by admin on Sat Dec 16 10:20:09 UTC 2023 , Edited by admin on Sat Dec 16 10:20:09 UTC 2023
PRIMARY
PUBCHEM
25209784
Created by admin on Sat Dec 16 10:20:09 UTC 2023 , Edited by admin on Sat Dec 16 10:20:09 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY