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18966-32-0

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Basic Information
CAS No.: 18966-32-0
Name: Clocanfamide
Molecular Structure:
Molecular Structure of 18966-32-0 (Clocanfamide)
Formula: C18H24ClNO2
Molecular Weight: 321.847
Synonyms: Clocanfamidum [INN-Latin];Clocanfamida [INN-Spanish];BENZAMIDE, p-CHLORO-N-(2-HYDROXYETHYL)-N-((3-METHYL-2-NORBORNYL)METHYL)-;Clomiren;p-Chloro-N-(2-hydroxyethyl)-N-((3-methyl-2-norbornyl)methyl)benzamide;4-chloro-N-(2-hydroxyethyl)-N-[(3-methylnorbornan-2-yl)methyl]benzamide;Chlorocamphamide;Benzamide,4-chloro-N-(2-hydroxyethyl)-N- [(3-methylbicyclo[2.2.1]hept-2-yl)methyl]-;Clocanfamide [INN];Clorocanfamide;p-Chlor-N-(2-hydroxyethyl)-N-(3-methylnorborn-2-ylmethyl)benzamide;Benzamide, 4-chloro-N-(2-hydroxyethyl)-N-((3-methylbicyclo(2.2.1)hept-2-yl)methyl)- (9CI);
Density: 1.183 g/cm3
Boiling Point: 491.3 °C at 760 mmHg
Flash Point: 250.9 °C
PSA: 40.54000
LogP: 3.45670
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Specification

This chemical is called Clocanfamide, and its IUPAC name is 4-chloro-N-(2-hydroxyethyl)-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]benzamide. With the molecular formula of C18H24ClNO2, its molecular weight is 321.84. The CAS registry number of this chemical is 18966-32-0. In addition, its classification code is Drug / Therapeutic Agent, and it's often used in ulcer therapy. 

Other characteristics of the Clocanfamide can be summarised as followings: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 273.18; (6)ACD/BCF (pH 7.4): 273.18; (7)ACD/KOC (pH 5.5): 1930.24; (8)ACD/KOC (pH 7.4): 1930.24; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 88.75 cm3; (15)Molar Volume: 271.9 cm3; (16)Polarizability: 35.18×10-24cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.183 g/cm3; (19)Flash Point: 250.9 °C; (20)Enthalpy of Vaporization: 79.83 kJ/mol; (21)Boiling Point: 491.3 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(=O)N(CC3C2CCC(C2)C3C)CCO
(2)InChI: InChI=1/C18H24ClNO2/c1-12-14-2-3-15(10-14)17(12)11-20(8-9-21)18(22)13-4-6-16(19)7-5-13/h4-7,12,14-15,17,21H,2-3,8-11H2,1H3
(3)InChIKey: LKJLMYKYKMDEBY-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C18H24ClNO2/c1-12-14-2-3-15(10-14)17(12)11-20(8-9-21)18(22)13-4-6-16(19)7-5-13/h4-7,12,14-15,17,21H,2-3,8-11H2,1H3
(5)Std. InChIKey: LKJLMYKYKMDEBY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 143mg/kg (143mg/kg)   Farmaco, Edizione Scientifica. Vol. 27, Pg. 129, 1972.
Link to PubMed
rat LD50 oral 4500mg/kg (4500mg/kg)   French Demande Patent Document. Vol. #2149331,