Ceftiofur Hydrochloride

HCID 9937686

기본 정보

CAS: 103980-44-5
표준 SMILES: CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1.Cl
InChIKey: KEQFDTJEEQKVLM-JUODUXDSSA-N
분자식: C19H18ClN5O7S3
평균 분자량: 560 g/mol
단동위원소 질량: 559.0056886

개요

Ceftiofur Hydrochloride is the hydrochloride salt form of ceftiofur, a semisynthetic, beta-lactamase-stable, broad-spectrum, third-generation cephalosporin with antibacterial activity. Ceftiofur binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. PBPs are enzymes involved in the terminal stages of assembling the bacterial cell wall and in reshaping the cell wall during growth and division. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This results in the weakening of the bacterial cell wall and causes cell lysis.

이름 및 식별자

우선 이름: Ceftiofur Hydrochloride
IUPAC: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
영어명: Ceftiofur hydrochloride
분자식: C19H18ClN5O7S3
분자량: 560.01

이름 및 동의어

Ceftiofur hydrochloride103980-44-5Ceftiofur HClExcenelCeftiofur monohydrochlorideU-64279ANSC-759845DTXSID1010343006822A07436SpectramastSpectramast DCSpectramast LC

이름 더 보기

U-67279AU 64279AExcenel RTUUnii-6822A07436Ceftiofur hydrochlorExcenel hydrochloride-3-(((furan-2-carbonyl)Ceftiovir hydrochloride

Cefenil RTUEXCENEL RTU EZRefChem:54738Spectramast DC Sterile SuspensionSpectramast LC Sterile SuspensionDTXCID201518941Excenel Sterile Suspension, Excenel RTU, Excenel Sterile PowderMFCD04038020

데이터베이스 식별자

CAS: 103980-44-5
PubChem CID: 9937686
DTXSID: DTXSID101034300
ChEMBL: CHEMBL2106486
UNII: 6822A07436
EC Number: 600-507-2

물성

구조 계산 물성

극성 표면적: 256 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 13
회전 가능 결합 수: 9
무거운 원자 수: 35
형식 전하: 0
복잡도: 945

실험 및 물리화학적 성질

Animal DrugsActive Ingredients (Ceftiofur Hydrochloride) -> FDA Greenbook

물리화학적 성질

녹는점: 190 °C · >190°C (dec.)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: Solid
색상: 회백색
주요 응용: 법의학 및 독성학의약품(소분자)
InChIKey: KEQFDTJEEQKVLM-JUODUXDSSA-N
SMILES: C(C1=C(CS[C@]2([H])[C@H](NC(=O)/C(/C3N=C(N)SC=3)=N\OC)C(=O)N12)CSC(C1OC=CC=1)=O)(=O)O.Cl |&1:5,7,r|

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.1% (1 of 90) of reports.

Danger

H317 (60%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P319, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Cease Manufacture Update: 03-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24076

Ceftiofur hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Sens. 1 (60%)

안전 데이터

wgk: 3
HS 번호: 2941906000
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.

용도 및 제조

Use Classification · 2건

Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients

Veterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes

응용 분야 · 2건

개요Ceftiofur Hydrochloride is the hydrochloride salt form of ceftiofur, a semisynthetic, beta-lactamase-stable, broad-spectrum, third-generation cephalosporin with antibacterial activity. Ceftiofur binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. PBPs are enzymes involved in the terminal stages of assembling the bacterial cell wall and in reshaping the cell wall during growth and division. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This results in the weakening of the bacterial cell wall and causes cell lysis.

용도Ceftiofur hydrochloride (ceftiofur) has been approved for treatment against respiratory diseases in many animals.1,3,8–10 The recommended dosage regimen of ceftiofur for the treatment of swine respiratory disease is 3–5 mg/kg body weight (BW) administered intramuscularly once daily for 3–5 consecutive days.