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Decarboxy Tianeptine Nitrile-[d12]

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General Information
Catalog: BLP-002456
CAS: 1216525-46-0
Molecular Formula: C21H12D12ClN3O2S
Molecular Weight: 430.03

Chemical Structure

Synonyms	Decarboxy Tianeptine-d12 Nitrile
IUPAC Name	7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]-2,2,3,3,4,4,5,5,6,6,7,7-dodecadeuterioheptanenitrile
Related CAS	1231718-21-0 (unlabelled)
Canonical SMILES	CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC#N
InChI	InChI=1S/C21H24ClN3O2S/c1-25-19-10-6-5-9-17(19)21(24-14-8-4-2-3-7-13-23)18-12-11-16(22)15-20(18)28(25,26)27/h5-6,9-12,15,21,24H,2-4,7-8,14H2,1H3/i2D2,3D2,4D2,7D2,8D2,14D2
InChI Key	BAZXSPFVNLBJSJ-ZARVCVOMSA-N
Purity	> 98%
Solubility	Soluble in Dichloromethane
Appearance	Yellow Liquid
Storage	Store at 2-8°C