Cephalothin Sodium

HCID 23675321CAS 58-71-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+]
InChIKey: VUFGUVLLDPOSBC-XRZFDKQNSA-M
분자식: C16H15N2NaO6S2
평균 분자량: 418.4 g/mol
단동위원소 질량: 418.02692248

개요

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

이름 및 식별자

우선 이름: 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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 169 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 7
무거운 원자 수: 27
형식 전하: 0
복잡도: 686

실험 및 물리화학적 성질

Human Drugs · 2건

FDA approved drugs -> Active ingredient

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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)