Liranaftate supplier | CasNO.88678-31-3

Name
Liranaftate
EINECS 000-000-0
CAS No. 88678-31-3
Article Data2
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 98.5-99.5 °C
Formula C₁₈H₂₀N₂O₂S
Boiling Point 462.5 °C at 760 mmHg
Molecular Weight 328.435
Flash Point 233.5 °C
Transport Information
Appearance white crystalline solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamothioicacid, (6-methoxy-2-pyridinyl)methyl-, O-(5,6,7,8-tetrahydro-2-naphthalenyl)ester (9CI);M 732;O-(5,6,7,8-Tetrahydro-2-naphthyl)N-(6-methoxy-2-pyridyl)-N-methylthiocarbamate;O-5,6,7,8-Tetrahydro-2-naphthyl6-methoxy-2-pyridyl(methyl)thiocarbamate;Piritetrate;N-(6-methoxy-2-Pyridyl)-N-methylthiocarbamic acid O-(5,6,7,8-tetrahydro-2-naphthyl)ester;
PSA 66.68000
LogP 3.76910

Liranaftate Specification

The M-732, with the cas registry number 88678-31-3, has the systematic name of O-(5,6,7,8-tetrahydronaphthalen-2-yl) (6-methoxypyridin-2-yl)methylcarbamothioate. And its product categories are various, including all inhibitors; inhibitors; intermediates & fine chemicals; pharmaceuticals. This is a kind of white crystalline solid. This chemical is usually used as a kind of antifungal and the squalene epoxidase inhibitor.

The characteristics of this chemical are as follows: (1)ACD/LogP: 5.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.21; (4)ACD/LogD (pH 7.4): 5.21; (5)ACD/BCF (pH 5.5): 5320.02; (6)ACD/BCF (pH 7.4): 5320.04; (7)ACD/KOC (pH 5.5): 16165.94; (8)ACD/KOC (pH 7.4): 16165.98; (9)#H bond acceptors: 4 ; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.68; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 95.66 cm³; (14)Molar Volume: 264.8 cm³; (15)Polarizability: 37.92 ×10^-24 cm³; (16)Surface Tension: 56.1 dyne/cm; (17)Density: 1.24 g/cm³; (18)Flash Point: 233.5 °C; (19)Enthalpy of Vaporization: 72.35 kJ/mol; (20)Boiling Point: 462.5 °C at 760 mmHg; (21)Vapour Pressure: 9.84E-09 mmHg at 25°C.

Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:S=C(Oc1cc2c(cc1)CCCC2)N(c3nc(OC)ccc3)C
(2)InChI:InChI=1/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3
(3)InChIKey:VPHPQNGOVQYUMG-UHFFFAOYAB

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	subcutaneous	> 2gm/kg (2000mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 24, Pg. 281, 1993.
mouse	LD50	intraperitoneal	> 2gm/kg (2000mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION LIVER: OTHER CHANGES SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 24, Pg. 281, 1993.
mouse	LD50	oral	> 2gm/kg (2000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 24, Pg. 281, 1993.
mouse	LD50	subcutaneous	> 2gm/kg (2000mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 24, Pg. 281, 1993.
rat	LD50	intraperitoneal	> 2gm/kg (2000mg/kg)	LIVER: OTHER CHANGES BLOOD: CHANGES IN SPLEEN	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 24, Pg. 281, 1993.
rat	LD50	oral	> 2gm/kg (2000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 24, Pg. 281, 1993.
rat	LD50	subcutaneous	> 2gm/kg (2000mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 24, Pg. 281, 1993

Product Name

Liranaftate

Liranaftate Specification

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