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Asenapine Maleate-[13C,d3]

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General Information
Catalog: BLP-003347
Molecular Formula: C20[13C]H17D3ClNO5
Molecular Weight: 405.85

Chemical Structure

Description	Asenapine Maleate-[13C,d3] is a labelled compound of Asenapine Maleate which is a 5-HT receptor antagonist developed for the treatment of acute schizophrenia and bipolar mania.
Synonyms	(3aR,12bR)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole (2Z)-2-Butenedioate-13C,d3; trans-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrole-13C,d3; (3aS,12bS)-5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole (2Z)-but-2-enedioate
IUPAC Name	(E)-but-2-enedioic acid;(2R,6R)-9-chloro-4-(trideuterio(1-13C)methyl)-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
Related CAS	1217729-73-1 (free base) 85650-56-2
Canonical SMILES	CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.C(=CC(=O)O)C(=O)O
InChI	InChI=1S/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,15-;/m0./s1/i1+1D3;
InChI Key	GMDCDXMAFMEDAG-RSGURKGUSA-N
Melting Point	55-60°C
Purity	99%
Appearance	Pale Brown Solid