3A,7A-DI-EPI-PERINDOPRIL, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H32N2O5
Molecular Weight	368.4678
Optical Activity	( + / - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3A,7A-DI-EPI-PERINDOPRIL, (±)-

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-NPJQDHAYSA-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

(±)-3A,7A-di-epi-Perindopril is a mixture of two isomers (S, RR, SS) and (R, SS, RR) each of which is an isomer of the antihypertensive drug perindopril. The first of which has the same activity as the compound while the second one is almost inactive.

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
Unknown 2578

Sample Use Guides

In Vivo Use Guide

dog: 1 mg/kg

Route of Administration: Other

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:41:56 GMT 2023` Edited by `admin` on `Sat Dec 16 10:41:56 GMT 2023`
Record UNII	39K9H1X80S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3A,7A-DI-EPI-PERINDOPRIL, (±)-

Common Name

English

(±)-3A,7A-DI-EPI-PERINDOPRIL

Common Name

English

(2RS,3ASR,7ASR)-1-((2RS)-2-(((1RS)-1-(ETHOXYCARBONYL)BUTYL)AMINO)PROPANOYL)OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID

Systematic Name

English

PERINDOPRIL TERT-BUTYLAMINE IMPURITY AA [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

39K9H1X80S

Created by admin on Sat Dec 16 10:41:56 GMT 2023 , Edited by admin on Sat Dec 16 10:41:56 GMT 2023

PRIMARY

PUBCHEM

6102289

Created by admin on Sat Dec 16 10:41:56 GMT 2023 , Edited by admin on Sat Dec 16 10:41:56 GMT 2023

PRIMARY

Related Record Type Details


					1964X464OJ

PERINDOPRIL ERBUMINE

PARENT -> IMPURITY

Comments:

UNSPECIFIED

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

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