DES(2-OXO-TETRAHYDROPYRIMIDINYL)-2-OXO-4-HYDROXY-TETRAHYDROPYRIMIDINYL LOPINAVIR

Details

Stereochemistry	UNKNOWN
Molecular Formula	C37H48N4O6
Molecular Weight	644.8002
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DES(2-OXO-TETRAHYDROPYRIMIDINYL)-2-OXO-4-HYDROXY-TETRAHYDROPYRIMIDINYL LOPINAVIR

Structure Search

SMILES

CC(C)[C@H](N1CCC(O)NC1=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=HECSHMHYHYDFLR-AILSMDFESA-N

InChI=1S/C37H48N4O6/c1-24(2)34(41-19-18-32(43)40-37(41)46)36(45)38-29(20-27-14-7-5-8-15-27)22-31(42)30(21-28-16-9-6-10-17-28)39-33(44)23-47-35-25(3)12-11-13-26(35)4/h5-17,24,29-32,34,42-43H,18-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/t29-,30-,31-,32?,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H48N4O6
Molecular Weight	644.8002
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:49:49 UTC 2023` Edited by `admin` on `Sat Dec 16 09:49:49 UTC 2023`
Record UNII	9BL5BH56JW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DES(2-OXO-TETRAHYDROPYRIMIDINYL)-2-OXO-4-HYDROXY-TETRAHYDROPYRIMIDINYL LOPINAVIR

Common Name

English

LOPINAVIR (M-3/M-4)

Common Name

English

LOPINAVIR IMPURITY C [WHO-IP]

Common Name

English

1(2H)-PYRIMIDINEACETAMIDE, N-((1S,3S,4S)-4-((2-(2,6-DIMETHYLPHENOXY)ACETYL)AMINO)-3-HYDROXY-5-PHENYL-1-(PHENYLMETHYL)PENTYL)TETRAHYDRO-4-HYDROXY-.ALPHA.-(1-METHYLETHYL)-2-OXO-, (.ALPHA.S)-

Systematic Name

English

LOPINAVIR METABOLITE M-3/M-4

Common Name

English

4-HYDROXYLOPINAVIR

Common Name

English

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

Common Name

English

Code System Code Type Description

FDA UNII

9BL5BH56JW

Created by admin on Sat Dec 16 09:49:50 UTC 2023 , Edited by admin on Sat Dec 16 09:49:50 UTC 2023

PRIMARY

PUBCHEM

486507

Created by admin on Sat Dec 16 09:49:50 UTC 2023 , Edited by admin on Sat Dec 16 09:49:50 UTC 2023

PRIMARY

CAS

357275-54-8

Created by admin on Sat Dec 16 09:49:50 UTC 2023 , Edited by admin on Sat Dec 16 09:49:50 UTC 2023

PRIMARY

EPA CompTox

DTXSID40333147

Created by admin on Sat Dec 16 09:49:50 UTC 2023 , Edited by admin on Sat Dec 16 09:49:50 UTC 2023

PRIMARY

Related Record Type Details


					2494G1JF75

LOPINAVIR

PARENT -> METABOLITE

Comments:

Amount not specified.