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Molecular Formula of Neticonazole hydrochloride (CAS NO.130773-02-3): C17H23ClN2OS
Molecular Weight: 338.89532 g/mol
Structure of Neticonazole hydrochloride (CAS NO.130773-02-3):
IUPAC Name: 1-[(E)-2-Methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride
Canonical SMILES: CCCCCOC1=CC=CC=C1C(=CSC)N2C=CN=C2.Cl
Isomeric SMILES: CCCCCOC1=CC=CC=C1/C(=C\SC)/N2C=CN=C2.Cl
InChI: InChI=1S/C17H22N2OS.ClH/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19;/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3;1H/b16-13+;
InChIKey: HAHMABKERDVYCH-ZUQRMPMESA-N
1. | orl-rat LD50:1650 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs, 6th Edition 1982 Edited by Japan Pharmaceutical Information Center.(Yakugyo Jiho Co., Ltd.,Tokyo, Japan.: )1995,945. | ||
2. | scu-rat LD50:4740 mg/kg | YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. 35 (1993),2933. | ||
3. | orl-mus LD50:820 mg/kg | NIIRDN Drugs in Japan. Ethical Drugs, 6th Edition 1982 Edited by Japan Pharmaceutical Information Center.(Yakugyo Jiho Co., Ltd.,Tokyo, Japan.: )1995,945. | ||
4. | scu-mus LD50:890 mg/kg | YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. 35 (1993),2933. |
Moderately toxic by ingestion and subcutaneous routes. Experimental reproductive effects. When heated to decomposition Neticonazole hydrochloride (CAS NO.130773-02-3) emits toxic vapors of NOx, SOx, HCl, and Cl−.
Neticonazole hydrochloride , its cas register number is 130773-02-3. It also can be called (E)-(1-(2-Pentyloxyphenyl)-1-imidazolyl-2-methylthio)ethylene hydrochloride ; Neticonazole HCl ; and SS717 .