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N-Desmethyl Asenapine-[13C6] Hydrochloride

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General Information
Catalog: BLP-004952
Molecular Formula: C10[13C]6H14ClNO.HCl
Molecular Weight: 314.16

Chemical Structure

Description	N-Desmethyl Asenapine-[13C6] Hydrochloride is the labelled analogue of N-Desmethyl Asenapine Hydrochloride, which is a metabolite of Asenapine.
Synonyms	N-Desmethyl Asenapine-13C6 Hydrochloride; (3aR,12bR)-rel-5-Chloro-2,3,3a,12b-tetrahydro-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole-13C6 Hydrochloride
IUPAC Name	(3aR,12bR)-5-chloro-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole-3b,4,5,6,7,7a-13C6 hydrochloride
Related CAS	1170701-78-6 (unlabelled) 1261393-91-2 (free base)
Canonical SMILES	C1C2C(CN1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.Cl
InChI	InChI=1S/C16H14ClNO.ClH/c17-10-5-6-16-12(7-10)14-9-18-8-13(14)11-3-1-2-4-15(11)19-16;/h1-7,13-14,18H,8-9H2;1H/t13-,14-;/m0./s1/i5+1,6+1,7+1,10+1,12+1,16+1;
InChI Key	ONMMHDIXIDXKTN-TZHJJTEYSA-N
Purity	≥95%
Solubility	Slightly soluble in Water
Appearance	Off-white Solid
Storage	Store at -20°C