7-chloro-1-(13C,2H3)methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl N,N-dimethylcarbamate

• ChemBase ID: 163556
• Molecular Formular: C19H18ClN3O3
• Molecular Mass: 372.81017484
• Monoisotopic Mass: 372.10702397
• SMILES: N1(C(=O)C(N=C(c2c1ccc(c2)Cl)c1ccccc1)OC(=O)N(C)C)[13CH3]
• Canonical SMILES: Clc1ccc2c(c1)C(=NC(C(=O)N2[13CH3])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/i3+1
• InChIKey: PXBVEXGRHZFEOF-LBPDFUHNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1-(^1^3C,^2H₃)methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl N,N-dimethylcarbamate
• IUPAC Traditional name: 7-chloro-1-(^1^3C,^2H₃)methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl N,N-dimethylcarbamate
• Synonyms: N,N-Dimethylcarbamic Acid 7-Chloro-2,3-dihydro-1-(methyl-13C,d3)-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl Ester; (+/-)-Camazepam-13C,d3; Albego-13C,d3; Racemic Camazepam-13C,d3; SB 5833-13C,d3; dl-Camazepam-13C,d3; Camazepam-13C,d3

Database IDs

• PubChem SID: 162257691
• PubChem CID: 71314481

CALCULATED PROPERTIES

• 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: 37.778164 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C149302

Labelled Camazepam (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)