Chemical Properties of Demoxepam (CAS 963-39-3)

InChI

InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19)

InChI Key

GGRWZBVSUZZMKS-UHFFFAOYSA-N

Formula

C15H11ClN2O2

SMILES

O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1

Molecular Weight¹

286.71

CAS

963-39-3

Other Names

• 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-, 4-oxide
• Chlordiazepoxide lactam
• Ro 5-2092
• Ro 5-2092 lactam
• 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide
• 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-, 4-oxide
• 1,3-Dihydro-7-chloro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide
• NSC-46077
• 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-one N-oxide
• NSC-46007
• NSC 169898

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Demoxepam.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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