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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18N4O4
Molecular Weight 390.392
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMINOTADALAFIL

SMILES

[H][C@]12CC3=C(NC4=C3C=CC=C4)[C@H](N1C(=O)CN(N)C2=O)C5=CC6=C(OCO6)C=C5

InChI

InChIKey=VUKJGAVIWMPOOJ-FOIQADDNSA-N
InChI=1S/C21H18N4O4/c22-24-9-18(26)25-15(21(24)27)8-13-12-3-1-2-4-14(12)23-19(13)20(25)11-5-6-16-17(7-11)29-10-28-16/h1-7,15,20,23H,8-10,22H2/t15-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H18N4O4
Molecular Weight 390.392
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Structural elucidation of a tadalafil analogue found as an adulterant of a herbal product.
2006 May
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:06:10 UTC 2023
Edited
by admin
on Fri Dec 15 17:06:10 UTC 2023
Record UNII
FY501QO030
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMINOTADALAFIL
MART.  
Common Name English
AMINOTADALAFIL [MART.]
Common Name English
((6R,12AR)-2-AMINO-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
AMINO-TADALAFIL
Common Name English
PYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOLE-1,4-DIONE, 2-AMINO-6-(1,3-BENZODIOXOL-5-YL)-2,3,6,7,12,12A-HEXAHYDRO-, (6R,12AR)-
Common Name English
RR-ATDF
Common Name English
Classification Tree Code System Code
WIKIPEDIA Designer-drugs-Aminotadalafil
Created by admin on Fri Dec 15 17:06:10 UTC 2023 , Edited by admin on Fri Dec 15 17:06:10 UTC 2023
NCI_THESAURUS C2127
Created by admin on Fri Dec 15 17:06:10 UTC 2023 , Edited by admin on Fri Dec 15 17:06:10 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID50191896
Created by admin on Fri Dec 15 17:06:10 UTC 2023 , Edited by admin on Fri Dec 15 17:06:10 UTC 2023
PRIMARY
PUBCHEM
10178467
Created by admin on Fri Dec 15 17:06:10 UTC 2023 , Edited by admin on Fri Dec 15 17:06:10 UTC 2023
PRIMARY
NCI_THESAURUS
C95961
Created by admin on Fri Dec 15 17:06:10 UTC 2023 , Edited by admin on Fri Dec 15 17:06:10 UTC 2023
PRIMARY
FDA UNII
FY501QO030
Created by admin on Fri Dec 15 17:06:10 UTC 2023 , Edited by admin on Fri Dec 15 17:06:10 UTC 2023
PRIMARY
CAS
385769-84-6
Created by admin on Fri Dec 15 17:06:10 UTC 2023 , Edited by admin on Fri Dec 15 17:06:10 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY