RITONAVIR 4-HYDROXY ISOMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H48N6O5S2
Molecular Weight	720.944
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](O)C[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4

InChI

InChIKey=VRNXMJYSOAQBMK-XGKFQTDJSA-N

InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(39-29)25(3)4)34(45)41-31(17-27-14-10-7-11-15-27)32(44)18-28(16-26-12-8-6-9-13-26)40-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,40,47)(H,41,45)(H,42,46)/t28-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H48N6O5S2
Molecular Weight	720.944
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

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:13:28 GMT 2023` Edited by `admin` on `Sat Dec 16 09:13:28 GMT 2023`
Record UNII	QA8V47KHDS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RITONAVIR 4-HYDROXY ISOMER

Common Name

English

RITONAVIR IMPURITY, 4-HYDROXY ISOMER- [USP IMPURITY]

Common Name

English

4-DEHYDROXY-5-HYDROXY RITONAVIR

Common Name

English

RITONAVIR IMPURITY N [EP IMPURITY]

Common Name

English

2,7,10,12-TETRAAZATRIDECANOIC ACID, 5-HYDROXY-12-METHYL-9-(1-METHYLETHYL)-13-(2-(1-METHYLETHYL)-4-THIAZOLYL)-8,11-DIOXO-3,6-BIS(PHENYLMETHYL)-, 5-THIAZOLYLMETHYL ESTER, (3S,5S,6S,9S)-

Systematic Name

English

THIAZOL-5-YLMETHYL ((1S,3S,4S)-1-BENZYL-3-HYDROXY-4-(((2S)-3-METHYL-2-((METHYL((2-(1-METHYLETHYL)THIAZOL-4-YL)METHYL)CARBAMOYL)AMINO)BUTANOYL)AMINO)-5-PHENYLPENTYL)CARBAMATE

Systematic Name

English

THIAZOL-5-YLMETHYL (2S,4S,5S)-4-HYDROXY-5-((S)-2-(3-((2-ISOPROPYLTHIAZOL-4-YL)METHYL)-3-METHYLUREIDO(-3-METHYLBUTANAMIDO)-1,6-DIPHENYLHEXAN-2-YLCARBAMATE

Systematic Name

English

Code System Code Type Description

FDA UNII

QA8V47KHDS

Created by admin on Sat Dec 16 09:13:28 GMT 2023 , Edited by admin on Sat Dec 16 09:13:28 GMT 2023

PRIMARY

PUBCHEM

515815

Created by admin on Sat Dec 16 09:13:28 GMT 2023 , Edited by admin on Sat Dec 16 09:13:28 GMT 2023

PRIMARY

CAS

202816-62-4

Created by admin on Sat Dec 16 09:13:28 GMT 2023 , Edited by admin on Sat Dec 16 09:13:28 GMT 2023

PRIMARY

EPA CompTox

DTXSID40174138

Created by admin on Sat Dec 16 09:13:28 GMT 2023 , Edited by admin on Sat Dec 16 09:13:28 GMT 2023

PRIMARY

Related Record Type Details


					O3J8G9O825

RITONAVIR

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: