Product Name

  • Name

    1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride

  • EINECS
  • CAS No. 130773-02-3
  • Article Data1
  • CAS DataBase
  • Density 1.06g/cm3
  • Solubility
  • Melting Point 145-147°
  • Formula C17H22 N2 O S . Cl H
  • Boiling Point 464°Cat760mmHg
  • Molecular Weight 338.901
  • Flash Point 234.4°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion and subcutaneous routes. Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx, SOx, HCl, and Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 130773-02-3 (1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms 1H-Imidazole,1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-, monohydrochloride(9CI); 1H-Imidazole, 1-[2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-,monohydrochloride, (E)-; Neticonazole hydrochloride; SS 717
  • PSA 52.35000
  • LogP 5.46380

Neticonazole hydrochloride Chemical Properties

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

Neticonazole hydrochloride Toxicity Data With Reference

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.

Neticonazole hydrochloride Safety Profile

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 Specification

 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 .

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