tert-Butyl ceftazidime

HCID 13673468
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기본 정보

CAS
102772-66-7
표준 SMILES
CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1
InChIKey
KRTGQDGIPNXUGP-ZLQBWVSZSA-N
분자식
C26H30N6O7S2
평균 분자량
602.7 g/mol
단동위원소 질량
602.16173966

이름 및 식별자

우선 이름
tert-Butyl ceftazidime
IUPAC
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
영어명
1-[[(6R,7R)-7-[[(2Z)-2-(2-AMino-4-thiazolyl)-2-[[2-(1,1-diMethylethoxy)-1,1-diMethyl-2-oxoethoxy]iMino]acetyl]aMino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]Methyl]pyridiniuM Inner Salt
분자식
C26H30N6O7S2
분자량
602.68

이름 및 동의어

Ceftazidime t-Butyl Ester102772-66-7tert-Butyl ceftazidime31XYW5AKQK(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateDTXSID00145501Pyridinium, 1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, inner salt(6R,7R)-7-(((2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-methyl-1-((2-methylpropan-2-yl)oxy)-1-oxopropan-2-yl)oxyiminoacetyl)amino)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylatePYRIDINIUM, 1-(((6R,7R)-7-(((2Z)-2-(2-AMINO-4-THIAZOLYL)-2-((2-(1,1-DIMETHYLETHOXY)-1,1-DIMETHYL-2-OXOETHOXY)IMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-, INNER SALTRefChem:894634DTXCID3067992600-349-4
이름 더 보기
Ceftazidime EP Imp ECeftazidime Impurity D(EP)Ceftazidime N-2 IntermediateCeftazidime Pentahydrate EP Impurity ECeftazidime EP Impurity E (Ceftazidime Impurity）Ceftazidime Impurity 5(Ceftazidime EP Impurity E)Ceftazidime t-Butyl Ester Ceftazidime Impurity E (EP)
Ceftazidime EP Impurity ECeftazidime Impurity EUNII-31XYW5AKQKCeftazidime tert-butyl ester(6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)acetamido)-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateSCHEMBL9640914IC19872G86089

데이터베이스 식별자

CAS
102772-66-7
PubChem CID
13673468
DTXSID
DTXSID00145501
UNII
31XYW5AKQK
EC Number
600-349-4

물성

구조 계산 물성

XLogP
1.8
극성 표면적
234 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
12
회전 가능 결합 수
10
무거운 원자 수
41

물리화학적 성질

녹는점
195 °C · >195°C (dec.)
저장 조건
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
색상
황백색에서 갈색까지
InChIKey
KRTGQDGIPNXUGP-UTMOZWIMNA-N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (33.3%): Flammable solid [Danger Flammable solids]

P210, P233, P240, P241, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P370+P378, P391, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 1건

REACH registered substance: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (EC: 600-349-4)

Hazard Classes and CategoriesFlam. Sol. 1 (33.3%)

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H317

화학 및 산업

응용 분야

용도Ceftazidime t-Butyl ester is an impurity of Ceftazidime (C244100). Ceftazidime impurity C.

공급사71 곳

济南百隆化学有限公司[email protected] · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

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