2-메르캅토벤조티아졸릴-(Z)-(2-아미노티아졸-4-일)-2-(tert-부톡시카르보닐)이소프로폭시이미노아세테이트

2-mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetate

HCID 13577862
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기본 정보

CAS
89604-92-2
표준 SMILES
CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)Sc1nc2ccccc2s1)c1csc(N)n1
InChIKey
RCZJVHXVCSKDKB-OYKKKHCWSA-N
분자식
C20H22N4O4S3
평균 분자량
478.6 g/mol
단동위원소 질량
478.08031818

이름 및 식별자

우선 이름
2-mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetate
IUPAC
tert-butyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate
현지명
2-메르캅토벤조티아졸릴-(Z)-(2-아미노티아졸-4-일)-2-(tert-부톡시카르보닐)이소프로폭시이미노아세테이트
영어명
2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetate
분자식
C20H22N4O4S3
분자량
478.61

이름 및 동의어

89604-92-22-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetateEC 419-040-9RefChem:87776419-040-9158183-05-2ceftazidime intermediate(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoateMFCD000715481,1-Dimethylethyl 2-[[(Z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methylpropanoate2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl)isopropoxyiminoacetateC20H22N4O4S3
이름 더 보기
2-메르캅토벤조티아졸릴-(Z)-(2-아미노티아졸-4-일)-2-(tert-부톡시카르보닐)이소프로폭시이미노아세테이트BPTA(Z)-TERT-BUTYL 2-(1-(2-AMINOTHIAZOL-4-YL)-2-(BENZO[D]THIAZOL-2-YLTHIO)-2-OXOETHYLIDENEAMINOOXY)-2-METHYLPROPANOATEtert-butyl (Z)-2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoateTAEM CASCeftazidimum-2-oxoethylidene)-2-methylpropanoateAztreonam Side Chain-2-(benzo[d]thiazol-2-ylthio)
tert-butyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoateRCZJVHXVCSKDKB-OYKKKHCWSA-Ntert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoateTERT-BUTYL 2-{[(Z)-[1-(2-AMINO-1,3-THIAZOL-4-YL)-2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-2-OXOETHYLIDENE]AMINO]OXY}-2-METHYLPROPANOATEPDQ29548CWSCHEMBL4727203DTXSID301104852tert-Butyl (Z)-2-[[[1-(2-Amino-4-thiazolyl)-2-[benzo[d]thiazol-2-ylthio]-2-oxoethylidene]amino]oxy]-2-methylpropionate

데이터베이스 식별자

CAS
89604-92-2
PubChem CID
13577862
DTXSID
DTXSID301104852
UNII
PDQ29548CW
EC Number
419-040-9

물성

구조 계산 물성

XLogP
5.6
극성 표면적
199 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
11
회전 가능 결합 수
9
무거운 원자 수
31

물리화학적 성질

녹는점
138 · 138-140°C
끓는 점
621.6 · 621.6±61.0 °C(Predicted)
밀도
1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건
2 · Keep in dark place,Inert atmosphere,2-8°C
용해도
클로로포름, 메탄올에 용해됨
물리적 상태
고체

화학적 성질

Pale Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, 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.

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

유해성 정보

Regulatory InformationREACH registered substance: 2-mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetate (EC: 419-040-9)
Hazard Classes and Categories · 3건

Aquatic Chronic 4 (100%)

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

안전 데이터

risk_code
53
safety_code
61

화학 및 산업

응용 분야

용도An intermediate for the preparation of cephalosporin derivatives.

상·하류 제품 정보

하류 제품

공급사100 곳

上海达立康医药科技有限公司18658316824
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]

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