U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H48N6O7S2
Molecular Weight 752.943
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RITONAVIR HYDROPEROXIDE

SMILES

CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)(C)OO)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=OABLQOGZCAELNU-QJANCWQKSA-N
InChI=1S/C37H48N6O7S2/c1-24(2)32(42-35(46)43(5)20-28-22-51-34(40-28)37(3,4)50-48)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)49-21-29-19-38-23-52-29/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 C37H48N6O7S2
Molecular Weight 752.943
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 08:45:26 UTC 2023
Edited
by admin
on Sat Dec 16 08:45:26 UTC 2023
Record UNII
MS461HT99H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RITONAVIR HYDROPEROXIDE
Common Name English
THIAZOL-5-YLMETHYL (2S,3S,5S)-5-((S)-2-(3-((2-(2-HYDROPEROXYPROPAN-2-YL)THIAZOL-4-YL)METHYL(-3-METHYLUREIDO)-3-METHYLBUTANAMIDO)-3-HYDROXY-1,6-DIPHENYLHEXAN-2-YLCARBAMATE
Systematic Name English
RITONAVIR IMPURITY, RITONAVIR HYDROPEROXIDE- [USP IMPURITY]
Common Name English
RITONAVIR IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
76960006
Created by admin on Sat Dec 16 08:45:26 UTC 2023 , Edited by admin on Sat Dec 16 08:45:26 UTC 2023
PRIMARY
FDA UNII
MS461HT99H
Created by admin on Sat Dec 16 08:45:26 UTC 2023 , Edited by admin on Sat Dec 16 08:45:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP