NORTADALAFIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H17N3O4
Molecular Weight	375.3774
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC3=C(NC4=C3C=CC=C4)[C@H](N1C(=O)CNC2=O)C5=CC6=C(OCO6)C=C5

InChI

InChIKey=XHDLVMPUSXRZOS-FOIQADDNSA-N

InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H17N3O4
Molecular Weight	375.3774
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
cGMP-specific 3',5'-cyclic phosphodiesterase 6 Target ID: Q28156 Gene ID: 281972.0 Gene Symbol: PDE5A Target Organism: Bos taurus (Bovine) Sources: https://www.ncbi.nlm.nih.gov/pubmed/14521415	Inhibitor 8297		0.012 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:25:12 UTC 2023` Edited by `admin` on `Sat Dec 16 11:25:12 UTC 2023`
Record UNII	5W59DMB3LD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NORTADALAFIL

Common Name

English

DEMETHYLTADALAFIL

Common Name

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-, (6R,12AR)-

Systematic Name

English

(+)-NORTADALAFIL

Common Name

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-, (6R-TRANS)-

Systematic Name

English

(6R,12AR)-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

Code System Code Type Description

EPA CompTox

DTXSID40431339

Created by admin on Sat Dec 16 11:25:12 UTC 2023 , Edited by admin on Sat Dec 16 11:25:12 UTC 2023

PRIMARY

PUBCHEM

9820973

Created by admin on Sat Dec 16 11:25:12 UTC 2023 , Edited by admin on Sat Dec 16 11:25:12 UTC 2023

PRIMARY

FDA UNII

5W59DMB3LD

Created by admin on Sat Dec 16 11:25:12 UTC 2023 , Edited by admin on Sat Dec 16 11:25:12 UTC 2023

PRIMARY

CAS

171596-36-4

Created by admin on Sat Dec 16 11:25:12 UTC 2023 , Edited by admin on Sat Dec 16 11:25:12 UTC 2023

PRIMARY

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					KT6HT14BLU

PHOSPHODIESTERASE 5A, HUMAN

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					5W59DMB3LD

NORTADALAFIL

ACTIVE MOIETY