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Azintamide

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Name

Azintamide

EINECS 217-384-2
CAS No. 1830-32-6 Density 1.27g/cm3
PSA 71.39000 LogP 2.09050
Solubility N/A Melting Point 97.0 °C
Formula C10H14ClN3OS Boiling Point 435.265 °C at 760 mmHg
Molecular Weight 259.76 Flash Point 217.041 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1830-32-6 (azintamide) Hazard Symbols N/A
Synonyms

2-[(6-Chloro-3-pyridazinyl)thio]-N,N-diethylacetamide;Azinthiamide;Bilipurum;Biloral;Colerin;N,N-Diethyl(6-chloropyridazin-3-ylthio)acetamide;N,N-Diethyl-2-(3-chloro-6-pyridazinylthio)acetamide;NSC 291837;Oragal;Oragalin;Oragallin;Oragallin purum;ST 9067;

Article Data 5

Azintamide Specification

The Acetamide,2-[(6-chloro-3-pyridazinyl)thio]-N,N-diethyl-, with the CAS registry number 1830-32-6, is also known as Azintamide. It belongs to the classification code of Drug / Therapeutic Agent. Its EINECS registry number is 217-384-2. This chemical's molecular formula is C10H14ClN3OS and molecular weight is 259.76. What's more, both its IUPAC name and systematic name are the same which is called 2-(6-Chloropyridazin-3-yl)sulfanyl-N,N-diethylacetamide.

Physical properties about Acetamide,2-[(6-chloro-3-pyridazinyl)thio]-N,N-diethyl- are: (1)ACD/LogP: 1.718; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.91; (6)ACD/BCF (pH 7.4): 11.91; (7)ACD/KOC (pH 5.5): 205.03; (8)ACD/KOC (pH 7.4): 205.03; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 71.39 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 66.968 cm3; (15)Molar Volume: 203.206 cm3; (16)Surface Tension: 56.11 dyne/cm; (17)Density: 1.278 g/cm3; (18)Flash Point: 217.041 °C; (19)Enthalpy of Vaporization: 69.152 kJ/mol; (20)Boiling Point: 435.265 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nnc(SCC(=O)N(CC)CC)cc1
(2) InChI: InChI=1S/C10H14ClN3OS/c1-3-14(4-2)10(15)7-16-9-6-5-8(11)12-13-9/h5-6H,3-4,7H2,1-2H3
(3) InChIKey: SSLKKMZJCJBOML-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 111, 1974.
mouse LD50 oral 1150mg/kg (1150mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 111, 1974.
rat LD50 intraperitoneal 540mg/kg (540mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 111, 1974.
rat LD50 oral 1550mg/kg (1550mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 14, Pg. 266, 1964.

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