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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25N3O4
Molecular Weight 431.4837
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BUTYL NORTADALAFIL

SMILES

CCCCN1CC(=O)N2[C@H](CC3=C(NC4=C3C=CC=C4)[C@H]2C5=CC=C6OCOC6=C5)C1=O

InChI

InChIKey=KYRHHTFKIXWPJS-NTKDMRAZSA-N
InChI=1S/C25H25N3O4/c1-2-3-10-27-13-22(29)28-19(25(27)30)12-17-16-6-4-5-7-18(16)26-23(17)24(28)15-8-9-20-21(11-15)32-14-31-20/h4-9,11,19,24,26H,2-3,10,12-14H2,1H3/t19-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H25N3O4
Molecular Weight 431.4837
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 Tue Apr 01 16:25:08 GMT 2025
Edited
by admin
on Tue Apr 01 16:25:08 GMT 2025
Record UNII
LX5457417F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-BUTYL NORTADALAFIL
Common Name English
(6R,12AR)-6-(1,3-BENZODIOXOL-5-YL)-2-BUTYL-2,3,6,7,12,12A-HEXAHYDROPYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOLE-1,4-DIONE
Preferred Name English
PYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOLE-1,4-DIONE, 6-(1,3-BENZODIOXOL-5-YL)-2-BUTYL-2,3,6,7,12,12A-HEXAHYDRO-, (6R,12AR)-
Systematic Name English
N-BUTYLNORTADALAFIL
Common Name English
PYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOLE-1,4-DIONE, 6-(1,3-BENZODIOXOL-5-YL)-2-BUTYL-2,3,6,7,12,12A-HEXAHYDRO-, (6R-TRANS)-
Systematic Name English
N-BUTYLTADALAFIL
Systematic Name English
N-BUTYL TADALAFIL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40747280
Created by admin on Tue Apr 01 16:25:08 GMT 2025 , Edited by admin on Tue Apr 01 16:25:08 GMT 2025
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PUBCHEM
11059087
Created by admin on Tue Apr 01 16:25:08 GMT 2025 , Edited by admin on Tue Apr 01 16:25:08 GMT 2025
PRIMARY
CAS
171596-31-9
Created by admin on Tue Apr 01 16:25:08 GMT 2025 , Edited by admin on Tue Apr 01 16:25:08 GMT 2025
PRIMARY
FDA UNII
LX5457417F
Created by admin on Tue Apr 01 16:25:08 GMT 2025 , Edited by admin on Tue Apr 01 16:25:08 GMT 2025
PRIMARY