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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23FN2O9
Molecular Weight 490.4351
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

O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(NC(=O)C3(CC3)C(=O)NC4=CC=C(F)C=C4)C=C2)O[C@@H]([C@H]1O)C(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 490.4351
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 Dec 16 15:32:39 UTC 2023
Edited
by admin
on Sat Dec 16 15:32:39 UTC 2023
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 Dec 16 15:32:39 UTC 2023 , Edited by admin on Sat Dec 16 15:32:39 UTC 2023
PRIMARY
CAS
1628530-43-7
Created by admin on Sat Dec 16 15:32:39 UTC 2023 , Edited by admin on Sat Dec 16 15:32:39 UTC 2023
PRIMARY
PUBCHEM
86269672
Created by admin on Sat Dec 16 15:32:39 UTC 2023 , Edited by admin on Sat Dec 16 15:32:39 UTC 2023
PRIMARY
Related Record Type Details
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