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N-Desmethyl Asenapine-[d4] Hydrochloride

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General Information
Catalog: BLP-011997
CAS: 1246820-54-1
Molecular Formula: C16H11D4Cl2NO
Molecular Weight: 312.23

Chemical Structure

Description	N-Desmethyl Asenapine-[d4] Hydrochloride is the labelled analogue of N-Desmethyl Asenapine, which is a metabolite of Asenapine.
Synonyms	N-Desmethyl Asenapine-d4 Hydrochloride
IUPAC Name	(2R,6R)-9-chloro-3,3,5,5-tetradeuterio-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene;hydrochloride
Related CAS	1170701-78-6 (unlabelled) 1246912-16-2 (free base)
Isomeric SMILES	[2H]C1([C@@H]2[C@H](C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24)C(N1)([2H])[2H])[2H].Cl
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/i8D2,9D2;
InChI Key	ONMMHDIXIDXKTN-NKWLCYSASA-N
Melting Point	258-260°C
Purity	95% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Application	Labelled Asenapine (A788000) metabolite.
Storage	Store at -20°C