Ceftolozane Impurity 20

HCID 87481325

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 689294-28-8
표준 SMILES: COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c4nsc(N)n4)C(=O)N23)cc1
InChIKey: NQDLZIRFHVOADV-SLUSSRSSSA-N
분자식: C28H33ClN6O8S2
평균 분자량: 681.2 g/mol
단동위원소 질량: 680.1489821

이름 및 식별자

우선 이름: Ceftolozane Impurity 20
IUPAC: (4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
영어명: 4-methoxybenzyl (6R,7R)-7-((E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)acetamido)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
분자식: C28H33ClN6O8S2
분자량: 681.18

이름 및 동의어

Ceftolozane Impurity 20SCHEMBL3111744DTXSID101098172(4-Methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]acetyl]amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate689294-28-8Ceftolozane ImpurityCeprolin impurity 204-methoxybenzyl (6R,7R)-7-((Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)acetamido)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate4-methoxybenzyl (6R,7R)-7-((E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)acetamido)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate4-methoxybenzyl (6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(1-tert-butoxy-2-methyl-1-oxopropan-2-yl)oxy]imino}acetyl]amino}-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]acetyl]amino]-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, (6R,7R)-

데이터베이스 식별자

CAS: 689294-28-8
PubChem CID: 87481325
DTXSID: DTXSID101098172
EC Number: 614-819-1

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 238 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 14
회전 가능 결합 수: 14
무거운 원자 수: 45
형식 전하: 0
복잡도: 1,220

물리화학적 성질

끓는 점: 848.47 ℃[at · 848.47℃[at 101 325 Pa]
수용성: 13.16 μg/L · 13.16μg/L
LogP: 4.16 · 4.16

안전 및 규제

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H228

화학 및 산업

공급사6 곳

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]

南雄市普强生物科技有限公司15702096460 13602449734 · [email protected]

上海智乾生物科技有限公司[email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

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