Cephalothin Sodium

HCID 23675321CAS 58-71-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+]
InChIKey: VUFGUVLLDPOSBC-XRZFDKQNSA-M
分子式: C16H15N2NaO6S2
平均分子量: 418.4 g/mol
単同位体質量: 418.02692248

概要

Cephalothin sodium is an organic sodium salt. It contains a cefalotin.

名称と識別子

優先名称: Cephalothin Sodium
IUPAC: sodium (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

名称と別名

CEPHALOTHIN SODIUM58-71-9cefalotin sodiumCephalothin sodium saltSodium cephalothinSeffinSodium cefalotinSodium cephalotinCefalotina sodicaCeporacinCepoveninLospoven

名称をさらに表示

MicrotinSynclotinToricelocinKeflin In Plastic ContainerC22G6EYP8B7-(Thiophene-2-acetamido)cephalosporanic acid sodium saltCEPHALOTHIN SODIUM W/ DEXTROSE IN PLASTIC CONTAINERNSC-756667

データベース識別子

CAS: 58-71-9
PubChem CID: 23675321
DTXSID: DTXSID30891362
ChEMBL: CHEMBL1632
ChEBI: CHEBI:3542
UNII: C22G6EYP8B
EC Number: 200-394-6

物性

構造計算による物性

極性表面積: 169 Å²
水素結合供与体数: 1
水素結合受容体数: 8
回転可能結合数: 7
重原子数: 27
形式電荷: 0
複雑度: 686

実験および物理化学的性質

Human Drugs · 2 件

FDA approved drugs -> Active ingredient

Collision Cross Section183.1 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

安全と法規制

GHS分類

GHS Classification · 4 件

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)

Aggregated GHS information provided per 58 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 22-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23180

5-Thia-1-azabicyclo4.2.0oct-2-ene-2-carboxylic acid, 3-(acetyloxy)methyl-8-oxo-7-(2-thienylacetyl)amino-, monosodium salt, (6R,7R)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-, monosodium salt, (6R-trans)-: Environment tier I assessment

Hazard Classes and CategoriesSkin Sens. 1 (100%)