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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H29N3O4S
Molecular Weight 407.527
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of R-426855

SMILES

CC(C)(O)CN(C[C@@H](O)[C@@H](N)CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(N)C=C2

InChI

InChIKey=SKPOYGHDPSYYLM-RBUKOAKNSA-N
InChI=1S/C20H29N3O4S/c1-20(2,25)14-23(28(26,27)17-10-8-16(21)9-11-17)13-19(24)18(22)12-15-6-4-3-5-7-15/h3-11,18-19,24-25H,12-14,21-22H2,1-2H3/t18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H29N3O4S
Molecular Weight 407.527
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:38:09 UTC 2023
Edited
by admin
on Sat Dec 16 14:38:09 UTC 2023
Record UNII
VGJ8L2AWB6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
R-426855
Code English
DARUNAVIR METABOLITE M6
Common Name English
BENZENESULFONAMIDE, 4-AMINO-N-((2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL)-N-(2-HYDROXY-2-METHYLPROPYL)-
Systematic Name English
R426855
Code English
Code System Code Type Description
FDA UNII
VGJ8L2AWB6
Created by admin on Sat Dec 16 14:38:09 UTC 2023 , Edited by admin on Sat Dec 16 14:38:09 UTC 2023
PRIMARY
PUBCHEM
139593398
Created by admin on Sat Dec 16 14:38:09 UTC 2023 , Edited by admin on Sat Dec 16 14:38:09 UTC 2023
PRIMARY
CAS
1809097-04-8
Created by admin on Sat Dec 16 14:38:09 UTC 2023 , Edited by admin on Sat Dec 16 14:38:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
FECAL; URINE