기본 정보
- CAS
61622-34-2- 표준 SMILES
CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1- InChIKey
QYQDKDWGWDOFFU-IUODEOHRSA-N- 분자식
- C18H23N9O4S3
- 평균 분자량
- 525.6 g/mol
- 단동위원소 질량
- 525.10351377
개요
Cefotiam is a cephalosporin with ({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl and (2-amino-1,3-thiazol-4-yl)acetamido substituents at positions 3 and 7, respectively, of the cephem skeleton. A third generation beta-lactam cephalosporin antibiotic, it is active against a broad spectrum of both Gram positive and Gram negative bacteria. It has a role as an antibacterial drug. It is a cephalosporin, a semisynthetic derivative and a beta-lactam antibiotic allergen.
이름 및 식별자
- 우선 이름
- Cefotiam
- IUPAC
- (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- Cefotiam
- 분자식
- C18H23N9O4S3
- 분자량
- 525.63
이름 및 동의어
cefotiam61622-34-2CefotiamumAspilJ01DC07CHEBI:355510(6R,7R)-7-[2-(2-amino-1,3-thiazol-4-yl)acetamido]-3-[({1-[2-(dimethylamino)ethyl]-1H-1,2,3,4-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid91W6Z2N718(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidDTXSID6022763Haloapor(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
이름 더 보기
CEFOTIAM HCLSCE 963TexodilTaketiamcgp14221ePansporin T(6r-trans)--oxoCefotiam USP/EP/BPPansporin：Pansporine
(6R,7R)-7-[2-(2-Amino-thiazol-4-yl)-acetylamino]-3-[1-(2-dimethylamino-ethyl)-1H-tetrazol-5-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-trans)-(6R,7R)-7-((2-(2-amino-1,3-thiazol-4-yl)acetyl)amino)-3-((1-(2-(dimethylamino)ethyl)tetrazol-5-yl)sulfanylmethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-((2-(2-amino-1,3-thiazol-4-yl)acetyl)amino)-3-((1-(2-dimethylaminoethyl)tetrazol-5-yl)sulfanylmethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-(2-(2-amino-1,3-thiazol-4-yl)acetamido)-3-(((1-(2-(dimethylamino)ethyl)-1H-1,2,3,4-tetrazol-5-yl)sulfanyl)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-(2-(2-Amino-thiazol-4-yl)-acetylamino)-3-(1-(2-dimethylamino-ethyl)-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:574975DTXCID602763
물성
구조 계산 물성
- XLogP
- -2.4
- 극성 표면적
- 251 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 847
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Listed in ZINC15
LogP-2.1
Solubility
Soluble
1.29e+00 g/L
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 843 ℃ · 843℃
- 밀도
- 1.8 · 1.80±0.1 g/cm3(Predicted)
- 인화점
- 110 ° · >110°(230°F)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 2.57 · 2.57±0.50(Predicted)
- 수용성
- 녹는
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Sens. 1 (100%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
cefotiam
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H317
화학 및 산업
약리 정보
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
Protein Binding40%
PharmacodynamicsCefotiam is a third generation beta-lactam cephalosporin antibiotic that works by inhibiting bacterial cell wall biosynthesis. It is a broad spectrum antibiotic that is effective against Gram positive and Gram negative bacteria.
Mechanism of ActionThe bactericidal activity of cefotiam results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs).
Biological Half-LifeApproximately 1 hour.
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Absorption, Distribution and ExcretionRapidly absorbed following intramuscular injection. Bioavailability is 60% following intramuscular injection.
Cellular LocationsCytoplasm
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >750
응용 분야
용도Antibacterial
상·하류 제품 정보
상류 원료
관련 반응
1건
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