Gr 89696 fumarate

CAS

126766-32-3

Catalog Number

ACM126766323

Category

Other Products

Molecular Weight

530.4

Molecular Formula

C₂₃H₂₉Cl₂N₃O₇

MSDS COA Spec Sheet

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Specification

Synonyms

GR-89696 fumarate, GR 89696 fumarate salt, G133_SIGMA, MLS000758305, MLS001424140, MolPort-003-941-452, GR 89696, HMS2051L20, 4-[(3,4-Dichlorophenyl)acetyl]-3-, CID6442840, NCGC00093956-01, CPD000466287, GR 85571, GR-89696, SAM001247087, SMR000466287, GR 103545, EU-0100572, G-133, (1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester fumarate

IUPAC Name

(E)-but-2-enedioic acid; methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate

Canonical SMILES

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

InChI Key

ABTNETSDXZBJTE-WLHGVMLRSA-N

Boiling Point

559.2ºC at 760 mmHg

Flash Point

292ºC

Exact Mass

529.13800