2,3A-DI-EPI-PERINDOPRIL, (2R,3AR)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H32N2O5
Molecular Weight	368.4678
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,3A-DI-EPI-PERINDOPRIL, (2R,3AR)-

Structure Search

SMILES

[H][C@@]12C[C@@H](N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O

InChI

InChIKey=IPVQLZZIHOAWMC-XFIYOXNOSA-N

InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13+,14-,15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H32N2O5
Molecular Weight	368.4678
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/1457697

(±)-2,3A-di-epi-Perindopril is a mixture of two isomers (S, SR, RR) and (R, RS, SS) which are both inactive epimers of the antihypertensive drug perindopril, although the (R, RS, SS) isomer possesses better activity.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Angiotensin-converting enzyme 97 Target ID: CHEMBL1808 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1457697	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:41:53 GMT 2023` Edited by `admin` on `Sat Dec 16 10:41:53 GMT 2023`
Record UNII	3907JE47RI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,3A-DI-EPI-PERINDOPRIL, (2R,3AR)-

Common Name

English

1H-INDOLE-2-CARBOXYLIC ACID, 1-(2-((1-(ETHOXYCARBONYL)BUTYL)AMINO)-1-OXOPROPYL)OCTAHYDRO-, (2R-(1(S*(S*)),2.ALPHA.,3A.BETA.,7A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

FDA UNII

3907JE47RI

Created by admin on Sat Dec 16 10:41:53 GMT 2023 , Edited by admin on Sat Dec 16 10:41:53 GMT 2023

PRIMARY

PUBCHEM

72941690

Created by admin on Sat Dec 16 10:41:53 GMT 2023 , Edited by admin on Sat Dec 16 10:41:53 GMT 2023

PRIMARY

CAS

145513-36-6

Created by admin on Sat Dec 16 10:41:53 GMT 2023 , Edited by admin on Sat Dec 16 10:41:53 GMT 2023

PRIMARY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/1457697

Approval Year

Targets

Conditions

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/1457697