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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H19N3O6
Molecular Weight 421.4028
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TADALAFIL KETOLACTAM

SMILES

CN1CC(=O)N2[C@H](CC(=O)C3=C(NC(=O)[C@H]2C4=CC=C5OCOC5=C4)C=CC=C3)C1=O

InChI

InChIKey=BBMXALYUYHSADD-FOIQADDNSA-N
InChI=1S/C22H19N3O6/c1-24-10-19(27)25-15(22(24)29)9-16(26)13-4-2-3-5-14(13)23-21(28)20(25)12-6-7-17-18(8-12)31-11-30-17/h2-8,15,20H,9-11H2,1H3,(H,23,28)/t15-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H19N3O6
Molecular Weight 421.4028
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 Mon Mar 31 22:15:57 GMT 2025
Edited
by admin
on Mon Mar 31 22:15:57 GMT 2025
Record UNII
83Z1ZC7LN1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(1,3-BENZODIOXOL-5-YL)-2-METHYL-2,3,14,14A-TETRAHYDROPYRAZINO(1,2-D)(1,4)BENZODIAZONINE-1,4,7,13(6H,8H)-TETRONE, (6R,14AR)-
Preferred Name English
TADALAFIL KETOLACTAM
Common Name English
(6R,14AR)-6-(1,3-BENZODIOXOL-5-YL)-2-METHYL-2,3,14,14A-TETRAHYDROPYRAZINO(1,2-D)(1,4)BENZODIAZONINE-1,4,7,13(6H,8H)-TETRONE
Systematic Name English
PYRAZINO(1,2-D)(1,4)BENZODIAZONINE-1,4,7,13(6H,8H)-TETRONE, 6-(1,3-BENZODIOXOL-5-YL)-2,3,14,14A-TETRAHYDRO-2-METHYL-, (6R,14AR)-
Systematic Name English
TADALAFIL IMPURITY H [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10858413
Created by admin on Mon Mar 31 22:15:57 GMT 2025 , Edited by admin on Mon Mar 31 22:15:57 GMT 2025
PRIMARY
CAS
1346605-38-6
Created by admin on Mon Mar 31 22:15:57 GMT 2025 , Edited by admin on Mon Mar 31 22:15:57 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
83Z1ZC7LN1
Created by admin on Mon Mar 31 22:15:57 GMT 2025 , Edited by admin on Mon Mar 31 22:15:57 GMT 2025
PRIMARY
PUBCHEM
71752283
Created by admin on Mon Mar 31 22:15:57 GMT 2025 , Edited by admin on Mon Mar 31 22:15:57 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY