(alphaZ)-2-Amino-alpha-((2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy)imino)-4-thiazoleacetic acid

HCID 6242497
노트반응
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기본 정보

CAS
86299-47-0
표준 SMILES
CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)O)c1csc(N)n1
InChIKey
FNRZBOJFRDVEOG-PXNMLYILSA-N
분자식
C13H19N3O5S
평균 분자량
329.37 g/mol

이름 및 식별자

우선 이름
(alphaZ)-2-Amino-alpha-((2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy)imino)-4-thiazoleacetic acid
IUPAC
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid
영어명
(Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid
분자식
C13H19N3O5S
분자량
329.37

이름 및 동의어

(alphaZ)-2-Amino-alpha-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-4-thiazoleacetic acid(alphaZ)-2-Amino-alpha-((2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy)imino)-4-thiazoleacetic acidRefChem:40579886299-47-0(Z)-2-(2-Aminothiazol-4-yl)-2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)acetic acidMFCD00071569C13H19N3O5S(Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-1-methylethoxyimino-4-thiazolacetic acid(Z)-2-(2-Aminothiazol-4-yl)-2-[(1-tert-butoxycarbonyl-1-methylethoxy)imino]acetic Acid(Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid(2Z)-2-(2-aminothiazol-4-yl)-2-(2-tert-butoxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetic acid(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid
이름 더 보기
TBAAtbaATTBAATIBAATBA/AT-TBATba/AtiibaLABOTEST-BB LT00080669Ceftazidime Impurity 1Ceftazidime Impurity 12
Nordazepam-d(2Z)-2-(2-amino(1,3-thiazol-4-yl))-3-{1-[(tert-butyl)oxycarbonyl]-isopropoxy}- 3-azaprop-2-enoic acid(alphaZ)-2-Amino-alpha-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-4-thiazoleacetic Acid; (Z)-2-Amino-alpha-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-4-thiazoleacetic Acid; (Z)-(2-Aminothiazol-4-yl)-2-(2-tert-butoxycarbonyl-2-propoxyimino)acetic Acid;Cefmenoxime Impurity 28MLS0007142533B2DK9X67WSCHEMBL2833601CHEMBL3212852

데이터베이스 식별자

CAS
86299-47-0
PubChem CID
6242497
ChEMBL
CHEMBL3212852
UNII
3B2DK9X67W
EC Number
621-831-0
Nikkaji
J1.203.175K

물성

구조 계산 물성

XLogP
2.4
극성 표면적
152 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
7
무거운 원자 수
22

실험 및 물리화학적 성질

Solubility>49.4 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점
180 °C · 180 °C (dec.)(lit.)
끓는 점
487.8 · 487.8±51.0 °C(Predicted)
밀도
1.3399 · 1.3399 (rough estimate)
굴절률
1.639 · 1.6390 (estimate)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)

화학적 성질

Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 17.4% (8 of 46) of reports.

Warning

H315 (82.6%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (82.6%)

안전 데이터

wgk
3
HS 번호
29349990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
기존화학 물질
2015-3-6641

화학 및 산업

응용 분야

용도(Z)-2-Amino-alpha-[1-(tert-butoxycarbonyl)]-1-methylethoxyimino-4-thiazolacetic acid is an intermediate used in the process for the manufacture of Ceftazidime (C244100).

상·하류 제품 정보

공급사100 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

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