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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23FN2O9
Molecular Weight 490.436
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(((1-(((4-FLUOROPHENYL)AMINO)CARBONYL)CYCLOPROPYL)CARBONYL)AMINO)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

SMILES

c1cc(ccc1F)NC(=O)C2(CC2)C(=O)Nc3ccc(cc3)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O

InChI

InChIKey=USWQMRZLEYMUAI-HBWRTXEVSA-N
InChI=1S/C23H23FN2O9/c24-11-1-3-12(4-2-11)25-21(32)23(9-10-23)22(33)26-13-5-7-14(8-6-13)34-20-17(29)15(27)16(28)18(35-20)19(30)31/h1-8,15-18,20,27-29H,9-10H2,(H,25,32)(H,26,33)(H,30,31)/t15-,16-,17+,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H23FN2O9
Molecular Weight 490.436
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 02:10:14 UTC 2021
Edited
by admin
on Sat Jun 26 02:10:14 UTC 2021
Record UNII
2OTX3QC8IB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(((1-(((4-FLUOROPHENYL)AMINO)CARBONYL)CYCLOPROPYL)CARBONYL)AMINO)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
CABOZANTINIB METABOLITE M5
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(((1-(((4-FLUOROPHENYL)AMINO)CARBONYL)CYCLOPROPYL)CARBONYL)AMINO)PHENYL
Systematic Name English
DEQUINOLINYL CABOZANTINIB GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
2OTX3QC8IB
Created by admin on Sat Jun 26 02:10:15 UTC 2021 , Edited by admin on Sat Jun 26 02:10:15 UTC 2021
PRIMARY
CAS
1628530-43-7
Created by admin on Sat Jun 26 02:10:15 UTC 2021 , Edited by admin on Sat Jun 26 02:10:15 UTC 2021
PRIMARY
PUBCHEM
86269672
Created by admin on Sat Jun 26 02:10:15 UTC 2021 , Edited by admin on Sat Jun 26 02:10:15 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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URINE