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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

Approval Year

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 Sat Dec 16 14:35:16 GMT 2023 , Edited by admin on Sat Dec 16 14:35:16 GMT 2023
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CAS
947408-14-2
Created by admin on Sat Dec 16 14:35:16 GMT 2023 , Edited by admin on Sat Dec 16 14:35:16 GMT 2023
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PUBCHEM
71752587
Created by admin on Sat Dec 16 14:35:16 GMT 2023 , Edited by admin on Sat Dec 16 14:35:16 GMT 2023
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