LOPINAVIR (2R) EPIMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H48N4O5
Molecular Weight	628.8008
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@@H](C[C@H](O)[C@H](CC2=CC=CC=C2)NC(=O)COC3=C(C)C=CC=C3C)CC4=CC=CC=C4

InChI

InChIKey=KJHKTHWMRKYKJE-AZWAZIRRSA-N

InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31+,32+,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H48N4O5
Molecular Weight	628.8008
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://www.bocsci.com/lopinavir-2r-epimer-cas-1217628-64-2-item-472473.html

Lopinavir, (2R) Epimer, a selective HIV protease inhibitor, possesses similar properties with lopinavir.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Human immunodeficiency virus type 1 protease 35 Target ID: CHEMBL243 Sources: http://www.bocsci.com/lopinavir-2r-epimer-cas-1217628-64-2-item-472473.html	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 `Fri Dec 15 16:24:36 UTC 2023` Edited by `admin` on `Fri Dec 15 16:24:36 UTC 2023`
Record UNII	9KMC791AR9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LOPINAVIR (2R) EPIMER

Common Name

English

(2S)-N-((1R,3S,4S)-1-BENZYL-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYLPENTYL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE

Systematic Name

English

(S)-N-((2R,4S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE

Systematic Name

English

LOPINAVIR, (2R) EPIMER-

Common Name

English

N-((2R,4S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYLHEXAN-2-YL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE, (S)-

Common Name

English

LOPINAVIR IMPURITY, LOPINAVIR (2R) EPIMER-

Common Name

English

LOPINAVIR IMPURITY P [EP IMPURITY]

Common Name

English

LOPINAVIR, (S-(2R,4S,5S))-

Common Name

English

LOPINAVIR (2R) EPIMER [USP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

9KMC791AR9

Created by admin on Fri Dec 15 16:24:36 UTC 2023 , Edited by admin on Fri Dec 15 16:24:36 UTC 2023

PRIMARY

PUBCHEM

52987589

Created by admin on Fri Dec 15 16:24:36 UTC 2023 , Edited by admin on Fri Dec 15 16:24:36 UTC 2023

PRIMARY

CAS

1217628-64-2

Created by admin on Fri Dec 15 16:24:36 UTC 2023 , Edited by admin on Fri Dec 15 16:24:36 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

Related Record Type Details


					2494G1JF75

LOPINAVIR

PARENT -> IMPURITY

Comments:

UNSPECIFIED

Qualification:

EP

Amount:

Details

SMILES

InChI

DescriptionSources: http://www.bocsci.com/lopinavir-2r-epimer-cas-1217628-64-2-item-472473.html

Approval Year

Targets

Conditions

Sample Use Guides

Description
Sources: http://www.bocsci.com/lopinavir-2r-epimer-cas-1217628-64-2-item-472473.html