7-chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl N,N-dimethylcarbamate

• ChemBase ID: 1285
• Molecular Formular: C19H18ClN3O3
• Molecular Mass: 371.81752
• Monoisotopic Mass: 371.10366913
• SMILES: Clc1cc2c(N(C(=O)C(OC(=O)N(C)C)N=C2c2ccccc2)C)cc1
• Canonical SMILES: Clc1ccc2c(c1)C(=NC(C(=O)N2C)OC(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3
• InChIKey: PXBVEXGRHZFEOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl N,N-dimethylcarbamate
• IUPAC Traditional name: camazepam
• Synonyms: N,N-Dimethylcarbamic Acid 7-Chloro-2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl Ester; (+/-)-Camazepam; Albego; Racemic Camazepam; SB 5833; dl-Camazepam; Camazepam

Database IDs

• CAS Number: 36104-80-0
• PubChem SID: 160964745; 46505921
• PubChem CID: 37367
• ATC CODE: N05BA15
• CHEMBL: 1095282
• Chemspider ID: 34285
• DrugBank ID: DB01489
• KEGG ID: D07315
• Unique Ingredient Identifier: HZ3XRH03C3
• Wikipedia Title: Camazepam

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.342279
• LogD (pH = 7.4): 3.342279
• Log P: 3.342279
• Molar Refractivity: 98.6319 cm^3
• Polarizability: 37.777706 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.48
• LOG S: -4.31
• Solubility (Water): 1.82e-02 g/l

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Excretion: Renal
• Metabolism: Hepatic
• Legal Status: Schedule IV(US)

DETAILS

DrugBank - DB01489

• Drug Groups: illicit; experimental
• External Links: Wikipedia

Toronto Research Chemicals - C149300

Anxiolytic. Controlled substance (depressant).

REFERENCES

• Merlo, L., et al.: Arzneim.-Forsch., 24, 1759 (1974)
• Carrara, S., et al.: Eur. J. Clin. Pharmacol., 13, 335 (1974)
• Marcucci, F., et al.: J. Pharm. Sci., 67, 1470 (1974)