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

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H48N4O8S
Molecular Weight 708.864
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SULFOLOPINAVIR

SMILES

CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](OS(O)(=O)=O)[C@H](CC2=CC=CC=C2)NC(=O)COC3=C(C)C=CC=C3C)CC4=CC=CC=C4

InChI

InChIKey=NNELXDLRUHRQHW-SUGCFTRWSA-N
InChI=1S/C37H48N4O8S/c1-25(2)34(41-20-12-19-38-37(41)44)36(43)39-30(21-28-15-7-5-8-16-28)23-32(49-50(45,46)47)31(22-29-17-9-6-10-18-29)40-33(42)24-48-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34H,12,19-24H2,1-4H3,(H,38,44)(H,39,43)(H,40,42)(H,45,46,47)/t30-,31-,32-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H48N4O8S
Molecular Weight 708.864
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 07:57:06 GMT 2023
Edited
by admin
on Sat Dec 16 07:57:06 GMT 2023
Record UNII
KY3P839ICO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULFOLOPINAVIR
Common Name English
(2S,3S,5S)-2-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-5-((S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDO(-1,6-DIPHENYLHEXAN-3-YL HYDROGEN SULFATE
Systematic Name English
LOPINAVIR IMPURITY, SULFOLOPINAVIR- [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
KY3P839ICO
Created by admin on Sat Dec 16 07:57:07 GMT 2023 , Edited by admin on Sat Dec 16 07:57:07 GMT 2023
PRIMARY
PUBCHEM
76969994
Created by admin on Sat Dec 16 07:57:07 GMT 2023 , Edited by admin on Sat Dec 16 07:57:07 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP