CAS 56271-94-4 (6R,7R)-7-(((2Z)-2-(2-Furanyl)-2-(methoxyimino)acetyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (HCID 9800056)

이름 및 식별자

우선 이름: (6R,7R)-7-(((2Z)-2-(2-Furanyl)-2-(methoxyimino)acetyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
IUPAC: (6R,7R)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
영어명: [6R-[6alpha,7beta(Z)]]-7-[2-furyl(methoxyimino)acetamido]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
분자식: C15H15N3O7S
분자량: 381.36

이름 및 동의어

56271-94-4DTXSID601101388(6R,7R)-7-[[(2Z)-2-(2-Furanyl)-2-(methoxyimino)acetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid(6R,7R)-7-(((2Z)-2-(2-Furanyl)-2-(methoxyimino)acetyl)amino)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:1050692DTXCID801533084Descarbamoyl CefuroximeDecarbamylcefuroximeCefuroxime Sodium EP Impurity AG9A49M069D(6R-(6alpha,7beta(Z)))-7-(2-Furyl(methoxyimino)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

이름 더 보기

7-{[2-Furyl(methoxyimino)acetyl]amino}-3-(hydroxymethyl)-8-oxo-5- thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidCefuroxime EP Imp ADeacetylcefuroximeacidCefuroxime DescarbamoylCefuroxime EP Impurity ACefuroxim Sodium impurity A3-hydroxy methyl CefuroximeCefuroxime sodium impurity A(6R,7R)-7-((Z)-2-(furan-2-yl)

Descarbamoylcefuroxime(6R,7R)-7-((Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidEINECS 260-086-2UNII-G9A49M069DDescarbamoylcefuroxime, Cefuroxime Sodium Imp. A; 640/2; Ph Eur Cefuroxime Sodium Impurity ADCCForb1709896SCHEMBL4750949

데이터베이스 식별자

CAS: 56271-94-4
PubChem CID: 9800056
DTXSID: DTXSID601101388
UNII: G9A49M069D
EC Number: 260-086-2
Nikkaji: J584.615C

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 167 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 9
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 693

물리화학적 성질

밀도: 1.71 · 1.71±0.1 g/cm3(Predicted)
증기압: 3 Pa · 3Pa at 20℃
저장 조건: -20 °C · -20°C Freezer, Under Inert Atmosphere
용해도: DMSO: 용해될 수 있다
물리적 상태: 고체
산도 계수 (pKa): 2.75 · 2.75±0.50(Predicted)
수용성: 1 mg/L · 1mg/L
안정성: 흡습성
InChIKey: OUSLHGWWWMRAIG-FBCAJUAOSA-N
SMILES: N12[C@@]([H])([C@H](NC(/C(/C3=CC=CO3)=N\OC)=O)C1=O)SCC(CO)=C2C(O)=O
LogP: -1.01 · -1.01

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: No longer Valid Update: 02-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26162；Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24201

Hazard Classes and CategoriesSkin Sens. 1 (100%)；Resp. Sens. 1 (100%)

규제 정보

Regulatory InformationStatus: No longer Valid Update: 02-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26162；Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24201