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129186-29-4

Basic Information
CAS No.: 129186-29-4
Name: gidazepam
Molecular Structure:
Molecular Structure of 129186-29-4 (gidazepam)
Formula: C17H15BrN4O2
Molecular Weight: 387.23
Synonyms: (1-Hydrazinocarbonyl)-7-bromo-5-phenyl-1,2-dihydro-3H-1,4-benzodiazepine-2-one;UNII-XMJ87I93Y9;
Density: 1.58 g/cm3
Boiling Point: 675.6 °C at 760 mmHg
Flash Point: 362.4 °C
PSA: 91.28000
LogP: 2.66420
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Specification

The 1H-1,4-Benzodiazepine-1-aceticacid, 7-bromo-2,3-dihydro-2-oxo-5-phenyl-, hydrazide, with the CAS registry number of 129186-29-4, is also known as Gidazepam. Its molecular formula is C17H15BrN4O2 and molecular weight is 387.23. What's more, its IUPAC name is 2-(7-Bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetohydrazide. This chemical's classification codes are Anti-arrhythmia agents; Anticonvulsants; Cardiotonic agents; Cardiovascular Agents. It is the prodrug for 7-Bromo-5-phenyl-1,2-dihydro-3H-1,4-benzodiazepine-2-one. Gidazepam is a drug which is an atypical benzodiazepine derivative, developed in the Soviet Union. It is a selectively anxiolytic benzodiazepine. It also has therapeutic value in the management of certain cardiovascular disorders.

Physical properties about the 1H-1,4-Benzodiazepine-1-aceticacid, 7-bromo-2,3-dihydro-2-oxo-5-phenyl-, hydrazide are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.66; (6)ACD/BCF (pH 7.4): 5.68; (7)ACD/KOC (pH 5.5): 120.14; (8)ACD/KOC (pH 7.4): 120.68; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 56.22 Å2; (13)Index of Refraction: 1.698; (14)Molar Volume: 244.8 cm3; (15)Surface Tension: 60.2 dyne/cm; (16)Density: 1.58 g/cm3; (17)Flash Point: 362.4 °C; (18)Enthalpy of Vaporization: 99.2 kJ/mol; (19)Boiling Point: 675.6 °C at 760 mmHg; (20)Vapour Pressure: 4.14E-18 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc3cc\1c(N(C(=O)C/N=C/1c2ccccc2)CC(=O)NN)cc3
(2) InChI: InChI=1/C17H15BrN4O2/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)20-9-16(24)22(14)10-15(23)21-19/h1-8H,9-10,19H2,(H,21,23)
(3) InChIKey: XLGCMZLSEXRBSG-UHFFFAOYAE