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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30N4O5S2
Molecular Weight 566.692
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-81272

SMILES

O[C@@H](C[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4

InChI

InChIKey=GXCDHFBSVILEOW-HRNNMHKYSA-N
InChI=1S/C28H30N4O5S2/c33-26(25(12-21-9-5-2-6-10-21)32-28(35)37-17-24-15-30-19-39-24)13-22(11-20-7-3-1-4-8-20)31-27(34)36-16-23-14-29-18-38-23/h1-10,14-15,18-19,22,25-26,33H,11-13,16-17H2,(H,31,34)(H,32,35)/t22-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H30N4O5S2
Molecular Weight 566.692
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:43:28 UTC 2023
Edited
by admin
on Sat Dec 16 08:43:28 UTC 2023
Record UNII
MUU258Q35N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
A-81272
Common Name English
1,3-THIAZOL-5-YLMETHYL N-((1S,3S,4S)-1-BENZYL-3-HYDROXY-5-PHENYL-4-(((1,3-THIAZOL-5-YLMETHOXY)CARBONYL)AMINO)PENTYL)CARBAMATE
Systematic Name English
RITONAVIR IMPURITY, 2,5-THIAZOLYLMETHYLDICARBAMATE- [USP IMPURITY]
Common Name English
THIAZOL-5-YLMETHYL ((1S,2S,4S)-1-BENZYL-2-HYDROXY-5-PHENYL-4-(((THIAZOL-5-YLMETHOXY)CARBONYL)AMINO)PENTYL)CARBAMATE
Systematic Name English
RITONAVIR IMPURITY D [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
MUU258Q35N
Created by admin on Sat Dec 16 08:43:28 UTC 2023 , Edited by admin on Sat Dec 16 08:43:28 UTC 2023
PRIMARY
PUBCHEM
57212162
Created by admin on Sat Dec 16 08:43:28 UTC 2023 , Edited by admin on Sat Dec 16 08:43:28 UTC 2023
PRIMARY
CAS
144142-33-6
Created by admin on Sat Dec 16 08:43:28 UTC 2023 , Edited by admin on Sat Dec 16 08:43:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
EP