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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H29F2NO9
Molecular Weight 585.5494
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EZETIMIBE GLUCURONIDE

SMILES

O[C@@H](CC[C@@H]1[C@H](N(C1=O)C2=CC=C(F)C=C2)C3=CC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)C5=CC=C(F)C=C5

InChI

InChIKey=UOFYCFMTERCNEW-ADEYADIWSA-N
InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H29F2NO9
Molecular Weight 585.5494
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:26:08 UTC 2023
Edited
by admin
on Sat Dec 16 09:26:08 UTC 2023
Record UNII
V7FA38E13K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EZETIMIBE GLUCURONIDE
Common Name English
SCH-58235 GLUCURONIDE
Code English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((2S,3R)-1-(4-FLUOROPHENYL)-3-((3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL)-4-OXO-2-AZETIDINYL)PHENYL
Systematic Name English
SCH-60663
Code English
Code System Code Type Description
EPA CompTox
DTXSID10432454
Created by admin on Sat Dec 16 09:26:08 UTC 2023 , Edited by admin on Sat Dec 16 09:26:08 UTC 2023
PRIMARY
PUBCHEM
9894653
Created by admin on Sat Dec 16 09:26:08 UTC 2023 , Edited by admin on Sat Dec 16 09:26:08 UTC 2023
PRIMARY
CAS
190448-57-8
Created by admin on Sat Dec 16 09:26:08 UTC 2023 , Edited by admin on Sat Dec 16 09:26:08 UTC 2023
PRIMARY
FDA UNII
V7FA38E13K
Created by admin on Sat Dec 16 09:26:08 UTC 2023 , Edited by admin on Sat Dec 16 09:26:08 UTC 2023
PRIMARY
Related Record Type Details
BINDER->LIGAND
BINDING