GR-89696 FUMARATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H25Cl2N3O3.C4H4O4
Molecular Weight	530.398
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)CC3=CC(Cl)=C(Cl)C=C3

InChI

InChIKey=ABTNETSDXZBJTE-WLHGVMLRSA-N

InChI=1S/C19H25Cl2N3O3.C4H4O4/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14;5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C19H25Cl2N3O3
Molecular Weight	414.326
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:20 UTC 2023` Edited by `admin` on `Sat Dec 16 16:57:20 UTC 2023`
Record UNII	YDF52K5SDR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GR-89696 FUMARATE

Code

English

1-PIPERAZINECARBOXYLIC ACID, 4-(2-(3,4-DICHLOROPHENYL)ACETYL)-3-(1-PYRROLIDINYLMETHYL)-, METHYL ESTER, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

126766-32-3