CAS Number91161-71-6
SynonymsLamasil; UNII-G7RIW8S0XP; S1725_Selleck; Terbinafine; Lamisil AT; trans-N-Methyl-N-(1-naphthylmethyl)-6,6-dimethylhept-2-en-4-ynyl-1-amine; (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine; Lamisil; Lamasil (TN); (2E)-N,6,6-Trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine; (2E)-N,6,6-Trimethyl-N-(1-naphthylmethyl)-2-hepten-4-yn-1-amine; SF-86-327; EINECS 245-385-8; MFCD00242672; Lamisil Tablet
Molecular FormulaC21H25N1
Molecular Weight291.44
Purity99%
Density1.0±0.1 g/cm3
Boiling Point417.9±33.0 °C at 760 mmHg
AppearanceWhite to off-white crystalline powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 91161-71-6 |
| Catalog No. | 2A-9012636 |
| Chinese Name | 特比萘芬 |
| Synonyms | Lamasil; UNII-G7RIW8S0XP; S1725_Selleck; Terbinafine; Lamisil AT; trans-N-Methyl-N-(1-naphthylmethyl)-6,6-dimethylhept-2-en-4-ynyl-1-amine; (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine; Lamisil; Lamasil (TN); (2E)-N,6,6-Trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine; (2E)-N,6,6-Trimethyl-N-(1-naphthylmethyl)-2-hepten-4-yn-1-amine; SF-86-327; EINECS 245-385-8; MFCD00242672; Lamisil Tablet |
| Molecular Formula | C21H25N1 |
| Molecular Weight | 291.44 |
| Purity | 99 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 417.9±33.0 °C at 760 mmHg |
| Appearance | White to off-white crystalline powder |
| Storage Condition | Room temperature, dry |
| Application | Terbinafine (TDT 067) is an antifungal drug that treats fungal infections. It is a potent, non-competitive inhibitor of squalene epoxygenase from Candida species with a Ki value of 30 nM. |
| HTC | 2921499090 |
| MDL Number | MFCD00242672 |
| SMILES | CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12 |
| InChI | InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+ |
| InChI Key | DOMXUEMWDBAQBQ-WEVVVXLNSA-N |
| MSDS | msds/12636_1_91161_71_6.pdf |
| Use of | Terbinafine (TDT 067) is an antifungal medication used to treat fungal infections. It is a potent non-competitive inhibitor of squalene epoxidase from Candida with a Ki of 30 nM. Properties Name terbinafine Synonym More Synonyms Terbinafine Biological Activity Description Terbinafine (TDT 067) is an antifungal medication used to treat fungal infections. It is a potent non-competitive inhibitor of squalene epoxidase from Candida with a Ki of 30 nM. Related Catalog Signaling Pathways >> Anti-infection >> Fungal Research Areas >> Infection Ki: 30 nM (squalene epoxidase)[1] In Vitro Terbinafine has a primary fungicidal action in vitro against most fungal pathogens, including dermatophytes, and dimorphic and filamentous fungi. Terbinafine specifically inhibits fungal ergosterol biosynthesis at the point of squalene epoxidation. The treated fungal cells rapidly accumulate tlic intermediate squalene and become deficient in the end-product of the pathway, ergosterol[1]. In Vivo Terbinafine is not only active after topical application but is very effective in experimental dermatophytoses following oral administration. In fungi infected guinea-pigs, the skin temperature dropps dramatically after the fourth treatment of terbinafine[2]. References [1]. Ryder NS, et al. Terbinafine: mode of action and properties of the squalene epoxidase inhibition. Br J Dermatol. 1992 Feb;126 Suppl 39:2-7. [2]. Mieth H, et al. Preclinical evaluation of terbinafine in vivo. Clin Exp Dermatol. 1989 Mar;14(2):104-7. Chemical & Physical Properties Molecular Formula C21H25N Exact Mass 291.198700 PSA 3.24000 Index of Refraction 1.586 InChIKey DOMXUEMWDBAQBQ-WEVVVXLNSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 1-Naphthalenemethanamine, N-(6,6-dimethyl-2-hepten-4-ynyl)-N-methyl-, (E)- CAS REGISTRY NUMBER : 91161-71-6 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Taste) - change in function REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 340,728,1992 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - man DOSE/DURATION : 3918 ug/kg TOXIC EFFECTS : Gastrointestinal - other changes REFERENCE : KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 27,6087,1993 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Human - woman DOSE/DURATION : TOXIC EFFECTS : Behavioral - anorexia (human) Liver - jaundice, cholestatic Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : JOHEEC Journal of Hepathology. (Elsevier Science, 655 Avenue of the Americas, New York, NY 10010) V.1- 1985- Volume(issue)/page/year: 24,753,1996 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : Safety Information Hazard Codes Xi HS Code 2921499090 Synthetic Route tert-butyl-2-ch... 16865-61-5 (E)-N-(3-CHLORO... 134865-58-0 Terbinafine 91161-71-6 1,1-dichloro-3,... 32363-94-3 (E)-N-(3-CHLORO... 134865-58-0 Terbinafine 91161-71-6 3,3-Dimethyl-1-... (E)-N-(3-CHLORO... 134865-58-0 Terbinafine 91161-71-6 Literature: Alami, Mouad; Crousse, Benoit; Ferri, Fabiola Journal of Organometallic Chemistry, 2001 , vol. 624, # 1-2 p. 114 - 123 Precursor & DownStream Precursor 8 CAS#:134865-58-0 (E)-N-(3-CHLORO... CAS#:32363-94-3 1,1-dichloro-3,... CAS#:917-92-0 3,3-Dimethyl-1-... CAS#:65473-13-4 N-Methyl-1-naph... DownStream 1 CAS#:78628-80-5 terbinafine hyd... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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