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Cas Database |
| Name |
Liranaftate |
EINECS | 000-000-0 |
| CAS No. | 88678-31-3 | Density | 1.24 g/cm3 |
| PSA | 66.68000 | LogP | 3.76910 |
| Solubility | N/A | 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 | N/A | Appearance | white crystalline solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 2 |
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 |
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