톨나프테이트

Tolnaftate

HCID 5510

기본 정보

CAS
2398-96-1
표준 SMILES
Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1
InChIKey
FUSNMLFNXJSCDI-UHFFFAOYSA-N
분자식
C19H17NOS
평균 분자량
307.4 g/mol
단동위원소 질량
307.10308516

개요

Crystals or white powder. (NTP, 1992)

이름 및 식별자

우선 이름
Tolnaftate
IUPAC
O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate
현지명
톨나프테이트
영어명
Tolnaftate
분자식
C19H17NOS
분자량
307.41

이름 및 동의어

tolnaftate2398-96-1TolnaphthateTinactinSporilineTinadermTolsanilDermoxinFocusanAftatePitrexNaphthiomate T
이름 더 보기
톨나프테이트TOLNAFTATE USPTolnaflatesorgoaTinavetnaftate
PhytodermTolnaftatoTimopedTritinHI-AlazinTolnaftatumSeparinSch 10144

데이터베이스 식별자

CAS
2398-96-1
PubChem CID
5510
DTXSID
DTXSID3042477
ChEMBL
CHEMBL83668
ChEBI
CHEBI:9620
UNII
06KB629TKV
EC Number
219-266-6
Nikkaji
J4.423G

물성

구조 계산 물성

XLogP
5.5
극성 표면적
44.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
22

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals

SpringerMaterials PropertiesFusion temperature
LogP5.31
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Human DrugsBreast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antifungal Agents
Animal DrugsActive Ingredients (Tolnaftate) -> FDA Greenbook

물리화학적 성질

녹는점
110.5 · 110.5-111.5°C
끓는 점
453.4 · 453.4±38.0 °C(Predicted)
밀도
1.1328 · 1.1328 (rough estimate)
굴절률
1.697 · 1.6970 (estimate)
저장 조건
2 · Sealed in dry,2-8°C
용해도
50 mg/ml의 · 50mg/ml의 클로로포름에 용해됩니다. 에탄올이나 메탄올에 거의 녹지 않음

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 40.4% (38 of 94) of reports.

Warning

H319 (56.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 94 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationTolnaftate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Carbamothioic acid, methyl(3-methylphenyl)-, O-2-naphthalenyl ester: Human health tier I assessment
Fire HazardsFlash point data on this chemical are not available, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: In susceptible persons, this compound may cause sensitization or irritation. (NTP, 1992)
Reactive GroupThiocarbamate Esters and Salts/Dithiocarbamate Esters and Salts
Reactivity Profile · 1건

TOLNAFTATE is a thiocarbamate. Flammable gases are generated by the combination of thiocarbamates and dithiocarbamates with aldehydes, nitrides, and hydrides. Thiocarbamates and dithiocarbamates are incompatible with acids, peroxides, and acid halides.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
FD8891300
독성
LD50 in mice, rats (g/kg): >10, >6 orally; >6, >4 s.c. (Hashimoto)
HS 번호
2930206050
위험 등급
IRRITANT

화학 및 산업

약리 정보

ATC Code · 2건

D - Dermatologicals

QD - Dermatologicals

PharmacodynamicsTolnaftate is a synthetic over-the-counter anti-fungal agent.
Mechanism of Action · 1건

Tolnaftate is a topical fungicide. Though its exact mechanism unknown, it is believed to prevent ergosterol biosynthesis by inhibiting squalene epoxidase. It has also been reported to distort the hyphae and to stunt mycelial growth in susceptible organisms.

FDA Pharmacological Classification · 4건

TOLNAFTATE

Azole Antifungal [EPC]; Azoles [CS]

ANTIFUNGAL POWDER SPRAY

Azoles [CS]; Azole Antifungal [EPC]

MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Cellular LocationsMembrane

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >50
Use ClassificationAnimal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
General Manufacturing InformationCarbamothioic acid, N-methyl-N-(3-methylphenyl)-, O-2-naphthalenyl ester: ACTIVE
응용 분야 · 2건

개요Tolnaftate is a thiocarbamate antifungal agent. It is active against clinical isolates of the dermatophytes T. rubrum, T. mentagraphytes, T. verrucosum, E. floccosum, and M. canis (MIC50s = 50, 100, 6, 50, and 50 ng/ml, respectively), as well as 18 additional yeast and filamentous fungi species (MIC = 0.003-0.8 μg/ml)., Tolnaftate also reduces aflatoxin production in A. parasiticus in a concentration-dependent manner. It inhibits squalene epoxidase with an IC50 value of 12.5 μg/ml in a cell-free assay.

용도antifungal for cutaneous infections. Tolnaftate (Aftate, Tinactin, etc.) is an odorless and nonstaining synthetic antifungal agent whose exact mechanism of action is unknown. It is effective against dermatophytes and P. orbiculare and Pityrosporum ovale. It is ineffective against C. albicans and bacteria.

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: A monothiocarbamic ester that is the methyl(3-tolyl)carbamothioate ester of 2-naphthol. A synthetic anti-fungal agent used to treat jock itch, athlete's foot and ringworm.

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