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Clonazepam

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Name

Clonazepam

EINECS 216-596-2
CAS No. 1622-61-3 Density 1.5 g/cm3
PSA 87.28000 LogP 3.13450
Solubility N/A Melting Point 236.5-238.5 °C
Formula C15H10ClN3O3 Boiling Point 524.5 °C at 760 mmHg
Molecular Weight 315.716 Flash Point 271 °C
Transport Information UN 1230 3/PG 2 Appearance tan solid
Safety 7-16-36/37-45-24/25-22 Risk Codes 11-23/24/25-39/23/24/25
Molecular Structure Molecular Structure of 1622-61-3 (Clonazepam) Hazard Symbols FlammableF, ToxicT
Synonyms

2H-1,4-Benzodiazepin-2-one,5-(o-chlorophenyl)-1,3-dihydro-7-nitro- (7CI,8CI);Lonazep;NSC 179913;Rivotril;Ro 5-4023;Kenoket;Iktorivil;Clonopin;5-(6-Chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one;7-Nitro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2(1H)-one;Antilepsin;Apetryl;Clonex;Clonazepam;

 

Clonazepam Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 1329ug/kg/31D (1.329mg/kg) LIVER: LIVER FUNCTION TESTS IMPAIRED American Journal of Gastroenterology. Vol. 83, Pg. 576, 1988.
man TDLo oral 21mg/kg/26W-I (21mg/kg) PERIPHERAL NERVE AND SENSATION: FASCICULATIONS Postgraduate Medical Journal. Vol. 63, Pg. 311, 1987.
mouse LD50 intraperitoneal 13300mg/kg (13300mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 811, 1980.
mouse LD50 intravenous > 18mg/kg (18mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 811, 1980.
mouse LD50 oral 2gm/kg (2000mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 35, Pg. 77, 1983.
mouse LD50 subcutaneous > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. 6, Pg. 235, 1982.
rat LD50 intraperitoneal 14200mg/kg (14200mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 11, Pg. 811, 1980.
rat LD50 oral > 15gm/kg (15000mg/kg)   Drugs in Japan Vol. 6, Pg. 235, 1982.
rat LD50 subcutaneous > 10gm/kg (10000mg/kg)   Drugs in Japan Vol. 6, Pg. 235, 1982.