Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Tioconazole
TIOCONAZOLE · Trosyd · Trosyl · Zoniden · vagistat · UK-20349 · Fungibacid · Vagistat 1
식별자 및 물리적 특성
| CAS No. | 65899-73-2 |
|---|---|
| 분자식 | C16H13Cl3N2OS |
| 평균 분자량 | 387.7 g/mol |
| 단동위원소 질량 | 385.98141708 g/mol |
| SMILES | Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1 |
| InChIKey | QXHHHPZILQDDPS-UHFFFAOYSA-N |
| PubChem CID | 5482 |
| ChEMBL | CHEMBL1200438 |
| ChEBI | CHEBI:77898 |
| EC No. | 265-973-8 |
| DTXSID | DTXSID3046619 |
화학 및 물리적 성질
| XLogP | 5.3 |
|---|---|
| 극성 표면적 | 55.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 379 |
| LogP(분배 계수) | 4.4 |
| 용해도 | 1.65e-02 g/L물에 아주 약간 용해되고, 염화메틸렌에 매우 용해되며, 알코올에는 잘 용해됩니다. |
| Human Drugs | Breast FeedingLactationAnti-Infective AgentsAntifungal AgentsDermatologic AgentsFDA approved drugs -> Active ingredient |
| Physical Description | Solid |
| Collision Cross Section | 180.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]179.43 Ų [M+H]+ [CCS Type: TW |
| 녹는점 | 79-81oC |
| 끓는 점 | 534.5±50.0 °C(Predicted) |
| 밀도 | 1.3115 (rough estimate) |
| 굴절률 | 1.6000 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 6.66±0.12(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| 화장품 원료 기능 | 항균 |
| InChI | InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2 |
| InChIKey | QXHHHPZILQDDPS-UHFFFAOYSA-N |
| SMILES | C1N(CC(OCC2C=CSC=2Cl)C2=CC=C(Cl)C=C2Cl)C=CN=1 |
화학적 성질
White powder EINECS: 265-973-8
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 100 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 노출 경로 | Systemic absorption following a single intravaginal application of tioconazole in nonpregnant patients is negligible. |
| 독성 요약 | Tioconazole interacts with 14-&alphademethylase, a cytochrome P-450 enzyme that converts lanosterol to ergosterol, an essential component of the yeast membrane. In this way, tioconazole inhibits ergosterol synthesis, resulting in increased cellular permeability. Tioconazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms and the uptake of purine, impair triglyceride and/or phospholipid biosynthesis, and inhibit the movement of calcium and potassium ions across the cell membrane by blocking the ion transport pathway known as the Gardos channel. |
| Signs and Symptoms | Symptoms of overdose include erythema, stinging, blistering, peeling, edema, pruritus, urticaria, burning, and general irritation of the skin, and cramps. |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN3077 |
| 관세 코드 | 2934990002 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 위험 등급 | 9Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Repr. 2Skin Sens. 1 |
용도
개요
Tioconazole is an antifungal agent, closely related to miconazole. Tioconazole is effective in the topical treatment of superficial fungal infections and appears to be more potent than miconazole against Candida and Trichophyton species.
용도
antithrombotic