HALOPERIDOL GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31ClFNO8
Molecular Weight	551.988
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2(CCN(CCCC(=O)C3=CC=C(F)C=C3)CC2)C4=CC=C(Cl)C=C4)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=ZFNLYKVTHNLKNZ-AMWBNRJOSA-N

InChI=1S/C27H31ClFNO8/c28-18-7-5-17(6-8-18)27(38-26-23(34)21(32)22(33)24(37-26)25(35)36)11-14-30(15-12-27)13-1-2-20(31)16-3-9-19(29)10-4-16/h3-10,21-24,26,32-34H,1-2,11-15H2,(H,35,36)/t21-,22-,23+,24-,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

HALOPERIDOL GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-(4-CHLOROPHENYL)-1-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-4-PIPERIDINYL

Systematic Name

English

(2R,3S,4R,5S,6R)-6-(4-(4-CHLOROPHENYL)-1-(4-(4-FLUOROPHENYL)-4-OXIDANYLIDENE-BUTYL)PIPERIDIN-4-YL)OXY-3,4,5-TRIS(OXIDANYL)OXANE-2-CARBOXYLIC ACID

Systematic Name

English

4-(4-CHLOROPHENYL)-1-(4-(4-FLUOROPHENYL)-4-OXOBUTYL)-4-PIPERIDINYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70747874

Created by admin on Sat Dec 16 15:29:54 GMT 2023 , Edited by admin on Sat Dec 16 15:29:54 GMT 2023

PRIMARY

PUBCHEM

71317190

Created by admin on Sat Dec 16 15:29:54 GMT 2023 , Edited by admin on Sat Dec 16 15:29:54 GMT 2023

PRIMARY

CAS

100442-88-4

Created by admin on Sat Dec 16 15:29:54 GMT 2023 , Edited by admin on Sat Dec 16 15:29:54 GMT 2023

PRIMARY

FDA UNII

4W53FP2YJV

Created by admin on Sat Dec 16 15:29:54 GMT 2023 , Edited by admin on Sat Dec 16 15:29:54 GMT 2023

PRIMARY

METABOLITE (PARENT)


					J6292F8L3D

HALOPERIDOL

SUBSTANCE RECORD


					4W53FP2YJV

HALOPERIDOL GLUCURONIDE