Cefazolin deacylated (HCID 6350581)

이름 및 식별자

우선 이름: Cefazolin deacylated
IUPAC: (6R,7R)-7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
영어명: 7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-ylthio)methyl]-3-cephem-4-carboxylic Acid
분자식: C11H12N4O3S3
분자량: 344.43

이름 및 동의어

30246-33-4(6R,7R)-7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidNUA2X3C4S1EINECS 250-099-17-ZACA(6R,7R)-7-Amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidEC 250-099-1(6R-trans)-7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-CEFAZOLIN SODIUM IMPURITY A [EP IMPURITY](6R-trans)-7-Amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-7-AMINO-3-(((5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID

이름 더 보기

TDA7-TDACefazolin IMpurity ACefazolin Impurity EP-ACefazolin USP Impurity KCefuroxime nucleus (7-TDA)Cefazolin Sodium Impurity AParent nucleus of cefazedone (7-TDA)Cefazolin Impurity 7(Cefazolin EP Impurity A)

(6R,7R)-7-amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-3-(((5-METHYL-1,3,4-THIADIAZOL-2-YL)THIO)METHYL)-8-OXO-, (6R,7R)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-AMINO-3-(((5-METHYL-1,3,4-THIADIAZOL-2-YL)THIO)METHYL)-8-OXO-, (6R-TRANS)-CEFAZOLIN SODIUM IMPURITY A (EP IMPURITY)RefChem:574970250-099-1Cefazolin EP Impurity AC11H12N4O3S3

데이터베이스 식별자

CAS: 30246-33-4
PubChem CID: 6350581
DTXSID: DTXSID101103989
UNII: NUA2X3C4S1
EC Number: 250-099-1
Nikkaji: J249.944D

물성

구조 계산 물성

XLogP: -3.2
극성 표면적: 188 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 9
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 515

물리화학적 성질

녹는점: 174 °C · >174°C (dec.)
끓는 점: 678.2 · 678.2±65.0 °C(Predicted)
밀도: 1.72 · 1.72±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: 3 · CHCl3(약간 용해됨, 가열됨), DMF(아주 적은 양으로 녹여라), DMSO(약간 용해됨)
산도 계수 (pKa): 2.52 · 2.52±0.50(Predicted)
물리적 상태: 고체
색상: 밝은 노란색에서 갈색까지
InChI: InChI=1S/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)/t6-,9-/m1/s1
InChIKey: HJSGHKMSDOLGJJ-HZGVNTEJSA-N
SMILES: N12[C@@]([H])([C@H](N)C1=O)SCC(CSC1=NN=C(C)S1)=C2C(O)=O

화학적 성질

Beige Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (84.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (84.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (15.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (84.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (15.4%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (84.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 13 reports by companies from 2 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: Active Update: 16-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30119

Hazard Classes and CategoriesAcute Tox. 4 (84.6%)；Skin Irrit. 2 (84.6%)；Skin Sens. 1 (15.4%)；Eye Irrit. 2 (84.6%)；Resp. Sens. 1 (15.4%)；STOT SE 3 (84.6%)

규제 정보

Regulatory InformationStatus: Active Update: 16-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30119

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-ylthio)methyl]-3-cephem-4-carboxylic Acid is a substrate used in the assessment of immobilized PGA orientation and in the synthesis of beta lactam antibiotics.

상·하류 제품 정보

상류 원료

공급사50 곳

湖北万得化工有限公司15377098680 15377098680 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

武汉灵灵九生物科技有限公司15623309010

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

연결된 노트

불러오는 중…

Cefazolin deacylated

기본 정보