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Name |
Lanoconazole |
EINECS | 203-865-4 |
CAS No. | 101530-10-3 | Density | 1.43 g/cm3 |
PSA | 92.21000 | LogP | 4.40748 |
Solubility | N/A | Melting Point |
141.5oC |
Formula | C14H10ClN3S2 | Boiling Point | 477.6oC at 760 mmHg |
Molecular Weight | 319.839 | Flash Point | 242.6oC |
Transport Information | N/A | Appearance | Light-yellow crystals |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
NND 318;TJN 318;1H-Imidazole-1-acetonitrile, a-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-, (E)-;Astat;Latoconazole; |
Article Data | 3 |
Conditions | Yield |
---|---|
With carbon disulfide; dimethyl sulfoxide In water | 38% |
With carbon disulfide; dimethyl sulfoxide In water | 38% |
Conditions | Yield |
---|---|
With carbon disulfide; dimethyl sulfoxide In water | 20% |
Molecular Structure of Lanoconazole (101530-10-3):
IUPAC Name: (2E)-2-[4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile
Molecular Formula: C14H10ClN3S2
Molecular Weight: 319.832300 g/mol
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: C1C(SC(=C(C#N)N2C=CN=C2)S1)C3=CC=CC=C3Cl
Isomeric SMILES: C1C(S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=CC=CC=C3Cl
InChI: InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+
InChIKey: ZRTQSJFIDWNVJW-WYMLVPIESA-N
Index of Refraction: 1.724
Molar Refractivity: 88.56 cm3
Molar Volume: 223 cm3
Surface Tension: 59.4 dyne/cm
Density: 1.43 g/cm3
Flash Point: 242.6 °C
Melting Point: 141.50 °C
Boiling Point: 477.6 °C at 760 mmHg
Enthalpy of Vaporization: 74.15 kJ/mol
Vapour Pressure: 2.77E-09 mmHg at 25 °C
Water Solubility: 14.98 mg/L at 25 °C
Storage Temp.: 2-8 °C
BRN: 4819111
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | subcutaneous | 2gm/kg (2000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: OTHER CHANGES BLOOD: NORMOCYTIC ANEMIA | Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 137, 1992. |
mouse | LD | subcutaneous | > 5gm/kg (5000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 195, 1992. | |
mouse | LD50 | intraperitoneal | 1743mg/kg (1743mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 195, 1992. |
mouse | LD50 | oral | 2715mg/kg (2715mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 195, 1992. |
rat | LD | skin | > 5gm/kg (5000mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 195, 1992. | |
rat | LD | subcutaneous | > 5gm/kg (5000mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 195, 1992. |
rat | LD50 | intraperitoneal | 1655mg/kg (1655mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) BEHAVIORAL: REGIDITY | Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 195, 1992. |
rat | LD50 | oral | 652mg/kg (652mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Oyo Yakuri. Pharmacometrics. Vol. 43, Pg. 195, 1992. |
Safety Information of Lanoconazole (101530-10-3):
Hazard Codes: Xn
Risk Statements: 22
22: Harmful if swallowed
RTECS: NI3393500
Lanoconazole (101530-10-3) is yellow crystals, also called for Lanoconazole [INN] ; (+-)-(E)-(4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene)-1-imidazolylacetonitrile ; (+-)-alpha-((E)-4-(o-Chlorophenyl)-1,3-dithiolan-2-ylidene)imidazole-1-acetonitrile ; (E)-alpha-(4-(2-Chlorophenyl)-1,3-dithiolan-2-ylidene)-1H-imidazole-1-acetonitrile ; Astat ; Latoconazole ; NND-318 ; TJN-318 ; UNII-4E7858311F ; 1H-Imidazole-1-acetonitrile, alpha-(4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene)-, (E)-(+-)- ; 1H-Imidazole-1-acetonitrile, alpha-(4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene)-, (alphaE)- . It is a kind of strong imidazole antifungal agents for the treatment of fungal skin disease.