7-chloro-5-(cyclohex-1-en-1-yl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

• ChemBase ID: 130344
• Molecular Formular: C16H17ClN2O
• Molecular Mass: 288.77198
• Monoisotopic Mass: 288.10294085
• SMILES: Clc1cc2c(N(C(=O)CN=C2C2=CCCCC2)C)cc1
• Canonical SMILES: Clc1ccc2c(c1)C(=NCC(=O)N2C)C1=CCCCC1
• InChI: InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3
• InChIKey: IQWYAQCHYZHJOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-5-(cyclohex-1-en-1-yl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
• IUPAC Traditional name: tetrazepam
• Synonyms: Tetrazepam; 7-Chloro-5-(1-cyclohexen-1-yl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one; 7-Chloro-5-(cyclohexen-1-yl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one; 7-Chloro-5-cyclohexenyl-1-methyl-2-oxo-2,3-dihydro-(1H)-1,4-benzodiazepine; CB 4261; Musaril; Myolastan; Ro 06-6657

Database IDs

• CAS Number: 10379-14-3
• PubChem SID: 162224623
• PubChem CID: 25215
• ATC CODE: M03BX07
• Chemspider ID: 23551
• KEGG ID: D07277
• Unique Ingredient Identifier: FO92091VP8
• Wikipedia Title: Tetrazepam

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1358852
• LogD (pH = 7.4): 3.1382408
• Log P: 3.1382709
• Molar Refractivity: 81.7173 cm^3
• Polarizability: 30.818064 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Half Life: 3-26 hours
• Legal Status: Schedule IV US

DETAILS

Toronto Research Chemicals - T306800

Tetrazepam is a muscle relaxant (skeletal). This is a controlled substance (depressant).

REFERENCES

• Bun, H., et al.: Arzeinm.-Forsch., 37, 199 (1987)
• Keane, P.E., et al.: J. Pharmacol. Exp. Ther., 245, 692 (1987)