RefChem:1098951 structure

RefChem:1098951

bis((E)-but-2-enedioic acid);3-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol

Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(4-(2,3-dihydroxypropyl)piperazinyl)methyl-, dimaleate|1,2-Propanediol, 3-[4-(spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolan]-4'-ylmethyl)-1-piperazinyl]-, (Z)-2-butenedioate (1:2) (salt)

CAS: 40536-30-9
Molecular Formula C33H38N2O12
Molecular Weight 654.2425 g/mol
LogP 1.1813
Topological Polar Surface Area 214.6 Ų
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
Rotatable Bonds 9
Exact Mass 654.2425
Monoisotopic Mass 654.2425
Heavy Atoms 47
Complexity 1363.9678

Chemical Identifiers

CAS Number 40536-30-9
SMILES C1N(CCN(C1)CC(O)CO)CC2OC3(OC2)C4=CC=CC=C4C=CC5=CC=CC=C35.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Product Overview

RefChem:1098951 (CAS 40536-30-9), with molecular formula C33H38N2O12 and molecular weight 654.2425 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol.

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