U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H27F2NO9
Molecular Weight 583.5346
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EZETIMIBE KETONE GLUCURONIDE

SMILES

c1cc(ccc1C(=O)CC[C@]2([H])[C@@]([H])(c3ccc(cc3)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O)N(c5ccc(cc5)F)C2=O)F

InChI

InChIKey=YLCUCLKTGSVDDA-QUIDQPAHSA-N
InChI=1S/C30H27F2NO9/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/h1-12,21,23-27,30,35-37H,13-14H2,(H,39,40)/t21-,23-,24+,25+,26-,27+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H27F2NO9
Molecular Weight 583.5346
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 20:31:42 UTC 2021
Edited
by admin
on Fri Jun 25 20:31:42 UTC 2021
Record UNII
QXG49H7QMG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EZETIMIBE KETONE GLUCURONIDE
Common Name English
SCH-57871 GLUCURONIDE
Code English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((2S,3R)-1-(4-FLUOROPHENYL)-3-(3-(4-FLUOROPHENYL)-3-OXOPROPYL)-4-OXO-2-AZETIDINYL)PHENYL
Systematic Name English
Code System Code Type Description
CAS
861404-71-9
Created by admin on Fri Jun 25 20:31:42 UTC 2021 , Edited by admin on Fri Jun 25 20:31:42 UTC 2021
PRIMARY
FDA UNII
QXG49H7QMG
Created by admin on Fri Jun 25 20:31:42 UTC 2021 , Edited by admin on Fri Jun 25 20:31:42 UTC 2021
PRIMARY
PUBCHEM
102319221
Created by admin on Fri Jun 25 20:31:42 UTC 2021 , Edited by admin on Fri Jun 25 20:31:42 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
URINE