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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H41F3N2O11S
Molecular Weight 778.788
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2R)-3,6-DIHYDRO-6-OXO-2-(2-PHENYLETHYL)-2-PROPYL-5-((1R)-1-(3-(((5-(TRIFLUOROMETHYL)-2-PYRIDINYL)SULFONYL)AMINO)PHENYL)PROPYL)-2H-PYRAN-4-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

SMILES

CCC[C@@]2(CCC1=CC=CC=C1)CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C([C@H](CC)C4=CC=CC(NS(=O)(=O)C5=NC=C(C=C5)C(F)(F)F)=C4)C(=O)O2

InChI

InChIKey=ODSCYUCOVFARRF-YFHPYYSLSA-N
InChI=1S/C37H41F3N2O11S/c1-3-16-36(17-15-21-9-6-5-7-10-21)19-26(51-35-31(45)29(43)30(44)32(52-35)33(46)47)28(34(48)53-36)25(4-2)22-11-8-12-24(18-22)42-54(49,50)27-14-13-23(20-41-27)37(38,39)40/h5-14,18,20,25,29-32,35,42-45H,3-4,15-17,19H2,1-2H3,(H,46,47)/t25-,29+,30+,31-,32+,35-,36-/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H41F3N2O11S
Molecular Weight 778.788
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:10:09 UTC 2023
Edited
by admin
on Thu Jul 06 20:10:09 UTC 2023
Record UNII
AAY9UHT656
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2R)-3,6-DIHYDRO-6-OXO-2-(2-PHENYLETHYL)-2-PROPYL-5-((1R)-1-(3-(((5-(TRIFLUOROMETHYL)-2-PYRIDINYL)SULFONYL)AMINO)PHENYL)PROPYL)-2H-PYRAN-4-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2R)-3,6-DIHYDRO-6-OXO-2-(2-PHENYLETHYL)-2-PROPYL-5-((1R)-1-(3-(((5-(TRIFLUOROMETHYL)-2-PYRIDINYL)SULFONYL)AMINO)PHENYL)PROPYL)-2H-PYRAN-4-YL
Systematic Name English
TIPRANAVIR METABOLITE (TIPRANAVIR GLUCURONIDE)
Common Name English
TIPRANAVIR GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
AAY9UHT656
Created by admin on Thu Jul 06 20:10:09 UTC 2023 , Edited by admin on Thu Jul 06 20:10:09 UTC 2023
PRIMARY
CAS
947408-14-2
Created by admin on Thu Jul 06 20:10:09 UTC 2023 , Edited by admin on Thu Jul 06 20:10:09 UTC 2023
PRIMARY
PUBCHEM
71752587
Created by admin on Thu Jul 06 20:10:09 UTC 2023 , Edited by admin on Thu Jul 06 20:10:09 UTC 2023
PRIMARY
Related Record Type Details
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