기본 정보
- CAS
63149-10-0- 표준 SMILES
CCOC(=O)c1c2c3c(c(Nc4ccc(Cl)cc4S(=O)(=O)O)ccc3n(C)c1=O)C(=O)c1ccccc1-2- InChIKey
XAVDJYWQEBDPNQ-UHFFFAOYSA-N- 분자식
- C26H19ClN2O7S
- 평균 분자량
- 539 g/mol
- 단동위원소 질량
- 538.0601498
이름 및 식별자
- 우선 이름
- 3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-, 1-ethyl ester
- IUPAC
- 5-chloro-2-[(16-ethoxycarbonyl-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]benzenesulfonic acid
- 영어명
- ethyl 6-[(4-chloro-2-sulphophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate
- 분자식
- C26H19ClN2O7S
- 분자량
- 538.96
이름 및 동의어
EINECS 263-957-53H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-, 1-ethyl ester3H-Dibenz(f,ij)isoquinoline-1-carboxylic acid, 6-((4-chloro-2-sulfophenyl)amino)-2,7-dihydro-3-methyl-2,7-dioxo-, 1-ethyl ester3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 6-((4-chloro-2-sulfophenyl)amino)-2,7-dihydro-3-methyl-2,7-dioxo-, 1-ethyl ester3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-, 1-ethyl esterRefChem:50575163149-10-0Ethyl 6-[(4-chloro-2-sulphophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylateEthyl 6-((4-chloro-2-sulphophenyl)amino)-2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz(f,ij)isoquinoline-1-carboxylateDTXSID7069734XAVDJYWQEBDPNQ-UHFFFAOYSA-NDB-220681
이름 더 보기
5-Chloro-2-[[[1-(ethoxycarbonyl)-3,7-dihydro-3-methyl-2,7-dioxo-2H-dibenz[f,ij]isoquinolin]-6-yl]amino]benzenesulfonic acid
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,100
물리화학적 성질
- EPA
- 3 H-Dibenz[f,ij]isoquinoline-1-carboxylic · 3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-, 1-ethyl ester (63149-10-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-, 1-ethyl ester: INACTIVE
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