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CAS No.: | 23593-75-1 |
---|---|
Name: | Clotrimazole |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C22H17ClN2 |
Molecular Weight: | 344.843 |
Synonyms: | Diphenyl(2-chlorophenyl)(1-imidazolyl)methane;Bay-B 5097;BAYb 5097;Mycelex (TN);(2-Chlorophenyl)diphenyl-1-imidazolylmethane;Lotrimin (TN);Clotrimazol [INN-Spanish];Gyne-Lotrimin;1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole;Mycelex Troches;1H-Imidazole, 1-[ (2-chlorophenyl)diphenylmethyl]-;Imidazole, 1- (o-chloro-.alpha.,.alpha.-diphenylbenzyl)-;Bis-fenil-(2-clorofenil)-1-imidazolil-metano [Italian];Lotrimin AF Cream;1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole;Lotrimax;Prestwick_120;FB 5097;Monobaycuten;1-(o-Chloro-.alpha., .alpha.-diphenylbenzyl)imidazole;Trimysten;Bis-phenyl-(2-chlorophenyl)-1-imidazoyl)methane;BAY b5097;Mykosporin;Mycelex G; |
EINECS: | 245-764-8 |
Density: | 1.13 g/cm3 |
Melting Point: | 147-149 °C |
Boiling Point: | 482.3 °C at 760 mmHg |
Flash Point: | 245.5 °C |
Solubility: | <10mg/L(25 oC) |
Appearance: | Crystalline |
Hazard Symbols: | Xi |
Risk Codes: | 22-36/38 |
Safety: | 26-36 |
PSA: | 17.82000 |
LogP: | 5.37670 |
1H-imidazole
diphenyl phosphite
o-chlorotriphenylmethanol
4-methyl-2-pentanone
clotrimazole
Conditions | Yield |
---|---|
With sodium hydroxide | 100% |
With sodium hydroxide | 77% |
Conditions | Yield |
---|---|
With sodium carbonate at 25℃; for 48h; Reagent/catalyst; Solvent; Concentration; Green chemistry; | 92% |
With sodium carbonate at 20℃; for 48h; Sealed tube; | 92% |
With triethylamine In acetonitrile Heating; | |
With triethylamine In toluene at 20 - 50℃; for 3h; Temperature; Solvent; Inert atmosphere; |
1H-imidazole
diphenyl phosphite
o-chlorotriphenylmethanol
clotrimazole
Conditions | Yield |
---|---|
In toluene | 74.5% |
In acetonitrile; benzene | 73% |
o-chlorotriphenylmethanol
clotrimazole
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: thionyl chloride / Heating 2: triethylamine / acetonitrile / Heating View Scheme |
clotrimazole
4-((1,3-bis(dodecanoyloxy)propan-2-yl)oxy)-4-oxobutanoic acid
Conditions | Yield |
---|---|
In acetonitrile at 50℃; for 6h; | 100% |
clotrimazole
o-chlorotriphenylmethanol
Conditions | Yield |
---|---|
With hydrogenchloride for 2h; Heating; | 93% |
With hydrogenchloride; water for 3h; Heating / reflux; | 85% |
With hydrogenchloride In water; isopropyl alcohol for 17h; Heating; | 36% |
potassium hexafluorophosphate
clotrimazole
Conditions | Yield |
---|---|
Stage #1: potassium hexafluorophosphate; cis-{Ru(Bipy)(Dppe)Cl2} In dichloromethane for 1h; Inert atmosphere; Stage #2: clotrimazole In dichloromethane for 6h; Reflux; Inert atmosphere; | 92% |
clotrimazole
Conditions | Yield |
---|---|
With deuteromethanol; di(tertbutyl)phenylphosphine; silver carbonate at 65℃; for 48h; Inert atmosphere; | 91% |
clotrimazole
1-bromomethyl-3,5-difluoro-benzene
Conditions | Yield |
---|---|
In ethyl acetate for 48h; Heating; | 90% |
potassium hexafluorophosphate
dichloro[1,4-bis(diphenylphosphino)butane](2,2'-bipyridine)ruthenium(II)
clotrimazole
Conditions | Yield |
---|---|
Stage #1: potassium hexafluorophosphate; dichloro[1,4-bis(diphenylphosphino)butane](2,2'-bipyridine)ruthenium(II) In dichloromethane for 1h; Inert atmosphere; Stage #2: clotrimazole In dichloromethane for 6h; Reflux; Inert atmosphere; | 90% |
Molecular Structure:
Molecular Formula: C22H17ClN2
Molecular Weight: 344.8368
IUPAC Name: 1-[(2-Chlorophenyl)-diphenylmethyl]imidazole
Synonyms of Mycosporin (CAS NO.23593-75-1): Clotrimazole ; Clotrimazole [USAN:INN:BAN:JAN] ; Lotrimax ; Lotrisone ; Otomax (Veterinary) ; 1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole (9CI) ; 1H-Imidazole, 1-((2-chlorophenyl)diphenylmethyl)- ; Imidazole, 1-(o-chloro-alpha,alpha-diphenylbenzyl)-
CAS NO: 23593-75-1
Classification Code: Anti-Infective Agents ; Anti-infective agents, local ; Antifungal ; Antifungal agents ; Drug / Therapeutic Agent ; Human Data ; Reproductive Effect
Melting Point: 147-149°C
Index of Refraction: 1.616
Molar Refractivity: 105.88 cm3
Molar Volume: 302.7 cm3
Surface Tension: 44.5 dyne/cm
Density: 1.13 g/cm3
Flash Point: 245.5 °C
Enthalpy of Vaporization: 71.87 kJ/mol
Boiling Point: 482.3 °C at 760 mmHg
Vapour Pressure: 5.42E-09 mmHg at 25°C
Mycosporin (CAS NO.23593-75-1) is a kind of broad-spectrum antifungals.
o-Chlorobenzoic acid could be used as a raw material to synthesize Mycosporin (CAS NO.23593-75-1)
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LD50 | oral | > 1gm/kg (1000mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1272, 1972. |
dog | LD50 | oral | > 2gm/kg (2000mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1272, 1972. |
mammal (species unspecified) | LD50 | oral | 750mg/kg (750mg/kg) | Antimicrobial Agents and Chemotherapy Vol. -, Pg. 271, 1969. | |
mouse | LD50 | intraperitoneal | 108mg/kg (108mg/kg) | Drug and Chemical Toxicology. Vol. 13, Pg. 195, 1990. | |
mouse | LD50 | intravenous | 198mg/kg (198mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967. | |
mouse | LD50 | oral | 761mg/kg (761mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1272, 1972. | |
mouse | LDLo | subcutaneous | 10gm/kg (10000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 1333, 1973. | |
rabbit | LD50 | oral | > 1gm/kg (1000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1272, 1972. |
rat | LD50 | intraperitoneal | 445mg/kg (445mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 1333, 1973. | |
rat | LD50 | oral | 708mg/kg (708mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1272, 1972. | |
rat | LDLo | subcutaneous | 10gm/kg (10000mg/kg) | Kiso to Rinsho. Clinical Report. Vol. 7, Pg. 1333, 1973. | |
women | TDLo | intravaginal | 28mg/kg/7D (28mg/kg) | SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE | Clinical Toxicology. Vol. 18, Pg. 41, 1981. |
Safety Information of Mycosporin (CAS NO.23593-75-1):
Hazard Codes:Xn
Risk Statements:22-36/38
22:Harmful if swallowed
36/38:Irritating to eyes and skin
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
WGK Germany:3
RTECS:NI4377000
Hazardous Substances Data:23593-75-1(Hazardous Substances Data)
Poison by intraperitoneal route. Moderately toxic by ingestion. An experimental teratogen. Human systemic effects by intrvaginal route: primary skin irritations. Experimental reproductive effects. A fungicide. When heated to decomposition it emits very toxic fumes of Cl− and NOx.