1622-61-3

The Clonazepam, with the CAS registry number 1622-61-3, is also known as 5-(2-Chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2(1H)-one. It belongs to the product categories of Organics;Intermediates & Fine&Chemicals;Pharmaceuticals;Amines;Aromatics;Heterocycles.This chemical's molecular formula is C₁₅H₁₀ClN₃O₃ and molecular weight is 315.71.Its EINECS number is 216-596-2. What's more,Its systematic name is Clonazepam. It is an anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of Gamma-aminobutyric acid receptor responses.

Physical properties about Clonazepam are: (1)ACD/LogP: 2.521; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.56; (6)ACD/BCF (pH 7.4): 48.55; (7)ACD/KOC (pH 5.5): 560.55; (8)ACD/KOC (pH 7.4): 560.52; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.701; (13)Molar Refractivity: 81.248 cm3; (14)Molar Volume: 209.927 cm3; (15)Surface Tension: 61.806999206543 dyne/cm; (16)Density: 1.504 g/cm3; (17)Flash Point: 271.018 °C; (18)Enthalpy of Vaporization: 79.843 kJ/mol; (19)Boiling Point: 524.517 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

The Clonazepam is danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .When you use it ,wear suitable protective clothing and gloves,avoid contact with skin and eyes,do not breathe dust.And keep container tightly closed ,keep away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES:[O-][N+](=O)c3cc\1c(NC(=O)C/N=C/1c2ccccc2Cl)cc3;
(2)Std. InChI:InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20);
(3)Std. InChIKey:DGBIGWXXNGSACT-UHFFFAOYSA-N.

The toxicity data of Clonazepam as follows: