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Asenapine-[13C,d3]

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General Information
Catalog: BLP-011793
CAS: 1217729-73-1
Molecular Formula: C16[13C]H13D3ClNO
Molecular Weight: 289.78

Chemical Structure

Description	Asenapine-[13C,d3] is the labelled analogue of Asenapine, which is a combined serotonin (5HT2) and dopamine (D2) receptor antagonist used for the treatment of schizophrenia atypical antipsychotic drugs.
Synonyms	Asenapine-13C,d3; (3aR,12bR)-rel-5-Chloro-2,3,3a,12b-tetrahydro-2-(methyl-13C,d3)-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole; trans-5-Chloro-2,3,3a,12b-tetrahydro-2-(methyl-13C,d3)-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole
IUPAC Name	(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	65576-45-6 (unlabelled)
Canonical SMILES	CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
InChI	InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1/i1+1D3
InChI Key	VSWBSWWIRNCQIJ-LBPJCRQQSA-N
Purity	≥96% by HPLC; ≥96% atom 13C; ≥96% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	Pale Beige to Brown Oil to Solid
Storage	Store at -20°C under inert atmosphere