기본 정보
- CAS
15318-45-3- 표준 SMILES
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1- InChIKey
OTVAEFIXJLOWRX-NXEZZACHSA-N- 분자식
- C12H15Cl2NO5S
- 평균 분자량
- 356.2 g/mol
- 단동위원소 질량
- 355.0047991
개요
Thiamphenicol is a monocarboxylic acid amide and a sulfone. It has a role as an antimicrobial agent and an immunosuppressive agent.
이름 및 식별자
- 우선 이름
- Thiamphenicol
- IUPAC
- 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
- 현지명
- 2,2-디클로로-N-[2-하이드록시-1-(하이드록시메틸)-2-[4-(메틸술포닐)페닐]에틸]아세트아미드
- 영어명
- Thiamphenicol
- 분자식
- C12H15Cl2NO5S
- 분자량
- 356.22
이름 및 동의어
thiamphenicol15318-45-3ThiophenicolThiocymetinDextrosulphenidolNeomysonUrfamycineIgralin(+)-ThiamphenicolThiamphenicolumTiamfenicoloTiamfenicol
이름 더 보기
2,2-디클로로-N-[2-하이드록시-1-(하이드록시메틸)-2-[4-(메틸술포닐)페닐]에틸]아세트아미드안티바이오틱스D-THREO-2,2-DICHLORO-N-(BETA-HYDROXY-ALPHA-[HYDROXYMETHYL]-4-[METHYLSULFONYL]PHENETHYL)ACETAMIDE8065c.b.NSC 522822hiamphenicolSulfoxamycin
ArmaiWIN-5063-2DescocinMacphenicolMasatirinUrfamicinaEfnicolHyrazin
데이터베이스 식별자
- CAS
15318-45-3、847-25-6- PubChem CID
- 27200
- DTXSID
DTXSID5021338- ChEMBL
CHEMBL1236282- ChEBI
CHEBI:32215- UNII
- 283383NO13、FLQ7571NPM
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 443
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Pharmaceuticals
Drugs
Pharmaceuticals -> Antibiotics (Amphenicols)
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Antibiotics
LogP0.15
Solubility>53.4 [ug/mL] (The mean of the results at pH 7.4)
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Collision Cross Section
174.56 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
170.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
179.09 Ų [M-H]-
물리화학적 성질
- 녹는점
- 163 · 163-166 °C
- 밀도
- 1.3281 · 1.3281 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 50 mg/mL, · 에탄올: 50mg/mL, 투명, 무색
- 물리적 상태
- 가루
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 96.8% (60 of 62) of all reports.
Not Classified
Aggregated GHS information provided per 62 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
REACH registered substance: Thiamphenicol (EC: 239-355-3)
Acetamide, 2,2-dichloro-N-(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-4-(methylsulfonyl)phenylethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryOccupational asthma confirmed in three pharmaceutical workers; [Malo]
Hazard Classes and CategoriesNot Classified
독성 정보
Adverse EffectsAsthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.
안전 데이터
- wgk
- 2
- rtecs
- AB6680000
- 독성
- human,TDLo,unreported,214mg/kg/10D (214mg/kg),BEHAVIORAL: SLEEPGASTROINTESTINAL: NAUSEA OR VOMITINGSKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE",Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 944, 1974.
- HS 번호
- 29414000
- safety_code
- 22-24/25
- 기존화학 물질
- KE-10139
화학 및 산업
약리 정보
ATC Code
J01BA02
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
용도 및 제조
UsesAn antibiotic (analog of chloramphenicol); [ChemIDplus]
Use Classification
Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
응용 분야
용도Thiamphenicol is an antibiotic. Thiamphenicol is the methyl-sulfonyl analogue of chloramphenicol and has a similar spectrum of activity, but is 2.5 to 5 times as potent. Thiamphenicol is used particul arly for the treatment of sexually transmitted infections and pelvic inflammatory disease.
상·하류 제품 정보
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