CHLOROPRETADALAFIL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H19ClN2O5
Molecular Weight	426.85
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@H]1CC2=C(NC3=C2C=CC=C3)[C@H](N1C(=O)CCl)C4=CC=C5OCOC5=C4

InChI

InChIKey=JUKHNCNDFOAFLT-IIBYNOLFSA-N

InChI=1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H19ClN2O5
Molecular Weight	426.85
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 23:22:32 GMT 2025` Edited by `admin` on `Mon Mar 31 23:22:32 GMT 2025`
Record UNII	1P8ITA120M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CHLOROPRETADALAFIL

Common Name

English

(1R,3R)-1-(1,3-BENZODIOXOL-5-YL)-2-(CHLOROACETYL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID METHYL ESTER

Preferred Name

English

METHYL (1R,3R)-1-(1,3-BENZODIOXOL-5-YL)-2-(CHLOROACETYL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLATE

Systematic Name

English

1H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID, 1-(1,3-BENZODIOXOL-5-YL)-2-(CHLOROACETYL)-2,3,4,9-TETRAHYDRO-, METHYL ESTER, (1R-CIS)-

Systematic Name

English

1H-PYRIDO(3,4-B)INDOLE-3-CARBOXYLIC ACID, 1-(1,3-BENZODIOXOL-5-YL)-2-(CHLOROACETYL)-2,3,4,9-TETRAHYDRO-, METHYL ESTER, (1R,3R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10873617

Created by admin on Mon Mar 31 23:22:32 GMT 2025 , Edited by admin on Mon Mar 31 23:22:32 GMT 2025

PRIMARY

FDA UNII

1P8ITA120M

Created by admin on Mon Mar 31 23:22:32 GMT 2025 , Edited by admin on Mon Mar 31 23:22:32 GMT 2025

PRIMARY

CAS

171489-59-1

Created by admin on Mon Mar 31 23:22:32 GMT 2025 , Edited by admin on Mon Mar 31 23:22:32 GMT 2025

PRIMARY

EPA CompTox

DTXSID601347683

Created by admin on Mon Mar 31 23:22:32 GMT 2025 , Edited by admin on Mon Mar 31 23:22:32 GMT 2025

PRIMARY

Related Record Type Details


					KT6HT14BLU

PHOSPHODIESTERASE 5A, HUMAN

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					1P8ITA120M

CHLOROPRETADALAFIL

ACTIVE MOIETY

Amount: