아세메타시터트-부틸레스터
(tert-Butoxycarbonyl)methyl 2-(1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methylindol-3-yl)acetate
기본 정보
- CAS
75302-98-6- 표준 SMILES
COc1ccc2c(c1)c(CC(=O)OCC(=O)OC(C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
FPYWWHOBBPHPFR-UHFFFAOYSA-N- 분자식
- C25H26ClNO6
- 평균 분자량
- 471.9 g/mol
- 단동위원소 질량
- 471.1448652
이름 및 식별자
- 우선 이름
- (tert-Butoxycarbonyl)methyl 2-(1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methylindol-3-yl)acetate
- IUPAC
- [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
- 현지명
- 아세메타시터트-부틸레스터
- 영어명
- Acemetacintert-butylester
- 분자식
- C25H26ClNO6
- 분자량
- 471.93
이름 및 동의어
(tert-Butoxycarbonyl)methyl 2-(1-((4-chlorophenyl)carbonyl)-5-methoxy-2-methylindol-3-yl)acetate(tert-Butoxycarbonyl)methyl 2-[1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl]acetateRefChem:408454616-210-675302-98-6Acemetacin EP Impurity Etert-Butyl acemetacinRNL06PB8AN2-tert-Butoxy-2-oxoethyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetateUNII-RNL06PB8AN[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetateEC 616-210-6
이름 더 보기
아세메타시터트-부틸레스터Acemetacin Impurity 11Acemetacintert-butylester2-TERT-BUTOXY-2-OXOETHYL [1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYLINDOL-3-YL]ACETATE1,1-Dimethylethyl [[[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetateAcemetacin EP Impurity EQ: What is Acemetacin EP Impurity E Q: What is the CAS Number of Acemetacin EP Impurity EAcemetacin EP Impurity E/1,1-Dimethylethyl [[[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetate
2-(tert-Butoxy)-2-oxoethyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,2-(1,1-dimethylethoxy)-2-oxoethyl esterSCHEMBL220242DTXSID80539065FPYWWHOBBPHPFR-UHFFFAOYSA-NACEMETACIN TERT-BUTYL ESTERAKOS001223232ACEMETACIN 1,1-DIMETHYLETHYL ESTER
데이터베이스 식별자
- CAS
75302-98-6- PubChem CID
- 13388202
- DTXSID
DTXSID80539065- UNII
- RNL06PB8AN
- EC Number
- 616-210-6
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 83.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 714
물리화학적 성질
- 증기압
- 0 Pa · 0Pa at 25℃
- LogP
- 5.78 · 5.78
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationREACH registered substance: (tert-Butoxycarbonyl)methyl 2-[1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl]acetate (EC: 616-210-6)
Hazard Classes and CategoriesAcute Tox. 2 (100%)
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H300
화학 및 산업
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하류 제품
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