2-DESISOPROPYL-2-ETHYL RITONAVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H46N6O5S2
Molecular Weight	706.918
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-DESISOPROPYL-2-ETHYL RITONAVIR

Structure Search

SMILES

CCC1=NC(CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4)=CS1

InChI

InChIKey=OYEPOHCIXAAUDI-UDRKEFQJSA-N

InChI=1S/C36H46N6O5S2/c1-5-32-38-28(22-48-32)20-42(4)35(45)41-33(24(2)3)34(44)39-27(16-25-12-8-6-9-13-25)18-31(43)30(17-26-14-10-7-11-15-26)40-36(46)47-21-29-19-37-23-49-29/h6-15,19,22-24,27,30-31,33,43H,5,16-18,20-21H2,1-4H3,(H,39,44)(H,40,46)(H,41,45)/t27-,30-,31-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H46N6O5S2
Molecular Weight	706.918
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Discovery of ritonavir, a potent inhibitor of HIV protease with high oral bioavailability and clinical efficacy.	1998 Feb 12	9484509

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:45:25 UTC 2023` Edited by `admin` on `Sat Dec 16 08:45:25 UTC 2023`
Record UNII	6M6X3D822N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-DESISOPROPYL-2-ETHYL RITONAVIR

Common Name

English

2,4,7,12-TETRAAZATRIDECAN-13-OIC ACID, 1-(2-ETHYL-4-THIAZOLYL)-10-HYDROXY-2-METHYL-5-(1-METHYLETHYL)-3,6-DIOXO-8,11-BIS(PHENYLMETHYL)-, 5-THIAZOLYLMETHYL ESTER, (5S,8S,10S,11S)-

Systematic Name

English

RITONAVIR IMPURITY, ETHYL ANALOG- [USP IMPURITY]

Common Name

English

THIAZOL-5-YLMETHYL (((1S,2S,4S)-1-BENZYL-4-(((2S)-2-((((2-ETHYLTHIAZOL-4-YL)METHYL)METHYLCARBAMOYL)AMINO)-3-METHYLBUTANOYL)AMINO)-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE

Systematic Name

English

RITONAVIR IMPURITY I [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

482956

Created by admin on Sat Dec 16 08:45:25 UTC 2023 , Edited by admin on Sat Dec 16 08:45:25 UTC 2023

PRIMARY

EPA CompTox

DTXSID60167921

Created by admin on Sat Dec 16 08:45:25 UTC 2023 , Edited by admin on Sat Dec 16 08:45:25 UTC 2023

PRIMARY

CAS

165315-26-4

Created by admin on Sat Dec 16 08:45:25 UTC 2023 , Edited by admin on Sat Dec 16 08:45:25 UTC 2023

PRIMARY

FDA UNII

6M6X3D822N

Created by admin on Sat Dec 16 08:45:25 UTC 2023 , Edited by admin on Sat Dec 16 08:45:25 UTC 2023

PRIMARY

Related Record Type Details


					O3J8G9O825

RITONAVIR

PARENT -> IMPURITY

Comments:

UNSPECIFIED

Qualification:

EP

Amount: