HYDROXYRITONAVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H48N6O6S2
Molecular Weight	736.944
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)O)C(=O)N[C@H](C[C@H](O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4

InChI

InChIKey=CLEDZMPJHBBTNZ-QJANCWQKSA-N

InChI=1S/C37H48N6O6S2/c1-24(2)32(42-35(46)43(5)20-28-22-50-34(40-28)37(3,4)48)33(45)39-27(16-25-12-8-6-9-13-25)18-31(44)30(17-26-14-10-7-11-15-26)41-36(47)49-21-29-19-38-23-51-29/h6-15,19,22-24,27,30-32,44,48H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t27-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H48N6O6S2
Molecular Weight	736.944
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:43:27 GMT 2023` Edited by `admin` on `Sat Dec 16 08:43:27 GMT 2023`
Record UNII	JN1D7K606N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HYDROXYRITONAVIR

Common Name

English

RITONAVIR METABOLITE M2

Common Name

English

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

Systematic Name

English

RITONAVIR IMPURITY E [EP IMPURITY]

Common Name

English

RITONAVIR IMPURITY, HYDROXYRITONAVIR- [USP IMPURITY]

Common Name

English

HYDROXY RITONAVIR

Common Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10170167

Created by admin on Sat Dec 16 08:43:27 GMT 2023 , Edited by admin on Sat Dec 16 08:43:27 GMT 2023

PRIMARY

PUBCHEM

71749331

Created by admin on Sat Dec 16 08:43:27 GMT 2023 , Edited by admin on Sat Dec 16 08:43:27 GMT 2023

PRIMARY

FDA UNII

JN1D7K606N

Created by admin on Sat Dec 16 08:43:27 GMT 2023 , Edited by admin on Sat Dec 16 08:43:27 GMT 2023

PRIMARY

CAS

176655-56-4

Created by admin on Sat Dec 16 08:43:27 GMT 2023 , Edited by admin on Sat Dec 16 08:43:27 GMT 2023

PRIMARY

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					O3J8G9O825

RITONAVIR

PARENT -> METABOLITE ACTIVE

Comments:

37.3% in feces 30.4% in urine

Interaction Type:

MAJOR

Qualification:

FECAL; URINE

Amount:

Related Record Type Details


					O3J8G9O825

RITONAVIR

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: