.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,3-DICHLORO-4-(4-(4-((1,2,3,4-TETRAHYDRO-2-OXO-7-QUINOLINYL)OXY)BUTYL)-1-PIPERAZINYL)PHENYL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H35Cl2N3O9
Molecular Weight	640.509
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,3-DICHLORO-4-(4-(4-((1,2,3,4-TETRAHYDRO-2-OXO-7-QUINOLINYL)OXY)BUTYL)-1-PIPERAZINYL)PHENYL

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C(Cl)C(Cl)=C(C=C2)N3CCN(CCCCOC4=CC5=C(CCC(=O)N5)C=C4)CC3)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=HEJPDCHYELODAJ-DYXRGMLLSA-N

InChI=1S/C29H35Cl2N3O9/c30-22-19(6-7-20(23(22)31)42-29-26(38)24(36)25(37)27(43-29)28(39)40)34-12-10-33(11-13-34)9-1-2-14-41-17-5-3-16-4-8-21(35)32-18(16)15-17/h3,5-7,15,24-27,29,36-38H,1-2,4,8-14H2,(H,32,35)(H,39,40)/t24-,25-,26+,27-,29+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,3-DICHLORO-4-(4-(4-((1,2,3,4-TETRAHYDRO-2-OXO-7-QUINOLINYL)OXY)BUTYL)-1-PIPERAZINYL)PHENYL

Systematic Name

English

DM-1454

Common Name

English

2,3-DICHLORO-4-(4-(4-((1,2,3,4-TETRAHYDRO-2-OXO-7-QUINOLINYL)OXY)BUTYL)-1-PIPERAZINYL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

DM 1454

Common Name

English

Code System Code Type Description

CAS

173456-51-4

Created by admin on Sat Dec 16 15:41:30 GMT 2023 , Edited by admin on Sat Dec 16 15:41:30 GMT 2023

PRIMARY

FDA UNII

EU2W4CO6AQ

Created by admin on Sat Dec 16 15:41:30 GMT 2023 , Edited by admin on Sat Dec 16 15:41:30 GMT 2023

PRIMARY

PUBCHEM

145722632

Created by admin on Sat Dec 16 15:41:30 GMT 2023 , Edited by admin on Sat Dec 16 15:41:30 GMT 2023

PRIMARY

PARENT (METABOLITE)


					82VFR53I78

ARIPIPRAZOLE

SUBSTANCE RECORD


					EU2W4CO6AQ

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,3-DICHLORO-4-(4-(4-((1,2,3,4-TETRAHYDRO-2-OXO-7-QUINOLINYL)OXY)BUTYL)-1-PIPERAZINYL)PHENYL