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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H31ClFNO11
Molecular Weight 624.008
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELVITEGRAVIR ACYL GLUCURONIDE

SMILES

COC1=C(CC2=CC=CC(Cl)=C2F)C=C3C(=O)C(=CN([C@H](CO)C(C)C)C3=C1)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=WPHAZPCTEVBKES-JEPPDLIRSA-N
InChI=1S/C29H31ClFNO11/c1-12(2)19(11-33)32-10-16(28(40)43-29-25(37)23(35)24(36)26(42-29)27(38)39)22(34)15-8-14(20(41-3)9-18(15)32)7-13-5-4-6-17(30)21(13)31/h4-6,8-10,12,19,23-26,29,33,35-37H,7,11H2,1-3H3,(H,38,39)/t19-,23+,24+,25-,26+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H31ClFNO11
Molecular Weight 624.008
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:29:18 GMT 2023
Edited
by admin
on Sat Dec 16 01:29:18 GMT 2023
Record UNII
F7LG22FZCH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ELVITEGRAVIR ACYL GLUCURONIDE
Common Name English
ELVITEGRAVIR (M4)
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(6-((3-CHLORO-2-FLUOROPHENYL)METHYL)-1,4-DIHYDRO-1-((1S)-1-(HYDROXYMETHYL)-2-METHYLPROPYL)-7-METHOXY-4-OXO-3-QUINOLINECARBOXYLATE)
Systematic Name English
Code System Code Type Description
CAS
870649-25-5
Created by admin on Sat Dec 16 01:29:18 GMT 2023 , Edited by admin on Sat Dec 16 01:29:18 GMT 2023
PRIMARY
PUBCHEM
57678650
Created by admin on Sat Dec 16 01:29:18 GMT 2023 , Edited by admin on Sat Dec 16 01:29:18 GMT 2023
PRIMARY
FDA UNII
F7LG22FZCH
Created by admin on Sat Dec 16 01:29:18 GMT 2023 , Edited by admin on Sat Dec 16 01:29:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
produced by uridine diphosphate glucuronoslytransferase UGT 1A1/3