11-(3-Dimethylaminopropyl)-6,11-dihydrodibenzo(b,e)thiepin-11-carbonitrile hydrogen oxalate

3-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium;2-hydroxy-2-oxoacetate

CAS: 87997-50-0

Molecular Formula	`C22H24N2O4S`
Molecular Weight	412.5 g/mol

Chemical Identifiers

CAS Number	87997-50-0
SMILES	`C[NH+](C)CCCC1(C2=CC=CC=C2CSC3=CC=CC=C31)C#N.C(=O)(C(=O)[O-])O`
InChIKey	`NGVBAIYSMAZTCC-UHFFFAOYSA-N`

📖 Product Overview

11-(3-Dimethylaminopropyl)-6,11-dihydrodibenzo(b,e)thiepin-11-carbonitrile hydrogen oxalate (CAS: 87997-50-0) is a chemical compound with molecular formula C22H24N2O4S and molecular weight 412.5 g/mol. Its IUPAC systematic name is 3-(11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium;2-hydroxy-2-oxoacetate. InChI Key: NGVBAIYSMAZTCC-UHFFFAOYSA-N. SMILES: C[NH+](C)CCCC1(C2=CC=CC=C2CSC3=CC=CC=C31)C#N.C(=O)(C(=O)[O-])O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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