Analyte Name

Octoclothepin Maleate Salt

CAS Number

4789-68-8

Molecular Formula

C19 H21 Cl N2 S . C4 H4 O4

Molecular Weight

460.974

Accurate Mass

460.122

SMILES

CN1CCN(CC1)C2Cc3ccccc3Sc4ccc(Cl)cc24.OC(=O)\C=C/C(=O)O

InChI

InChI=1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

IUPAC

(Z)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat