N-DESMETHYL-N-CYCLOPENTYL CIS-TADALAFIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25N3O4
Molecular Weight	443.4944
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-DESMETHYL-N-CYCLOPENTYL CIS-TADALAFIL

Structure Search

SMILES

[H][C@@]12CC3=C(NC4=C3C=CC=C4)[C@H](N1C(=O)CN(C5CCCC5)C2=O)C6=CC7=C(OCO7)C=C6

InChI

InChIKey=PWUCUSITNKSTMS-NBGIEHNGSA-N

InChI=1S/C26H25N3O4/c30-23-13-28(16-5-1-2-6-16)26(31)20-12-18-17-7-3-4-8-19(17)27-24(18)25(29(20)23)15-9-10-21-22(11-15)33-14-32-21/h3-4,7-11,16,20,25,27H,1-2,5-6,12-14H2/t20-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H25N3O4
Molecular Weight	443.4944
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 10:41:33 UTC 2023` Edited by `admin` on `Sat Dec 16 10:41:33 UTC 2023`
Record UNII	J7G35Q0IAW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DESMETHYL-N-CYCLOPENTYL CIS-TADALAFIL

Common Name

English

PYRAZINO(1',2':1,6)PYRIDO(3,4-B)INDOLE-1,4-DIONE, 6-(1,3-BENZODIOXOL-5-YL)-2-CYCLOPENTYL-2,3,6,7,12,12A-HEXAHYDRO-, (6R,12AS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

J7G35Q0IAW

Created by admin on Sat Dec 16 10:41:33 UTC 2023 , Edited by admin on Sat Dec 16 10:41:33 UTC 2023

PRIMARY

PUBCHEM

109374136

Created by admin on Sat Dec 16 10:41:33 UTC 2023 , Edited by admin on Sat Dec 16 10:41:33 UTC 2023

PRIMARY

CAS

171488-19-0

Created by admin on Sat Dec 16 10:41:33 UTC 2023 , Edited by admin on Sat Dec 16 10:41:33 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY