기본 정보
- CAS
72243-89-1- 표준 SMILES
COc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1CN(C)c1nc(F)nc(F)c1Cl.[Na+].[Na+]- InChIKey
FSVQGFGIZGYRLT-UHFFFAOYSA-L- 분자식
- C27H18ClF2N5Na2O9S2
- 평균 분자량
- 740 g/mol
- 단동위원소 질량
- 738.9997921
이름 및 식별자
- 우선 이름
- 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
- IUPAC
- disodium;1-amino-4-[3-[[(5-chloro-2,6-difluoropyrimidin-4-yl)-methylamino]methyl]-4-methoxy-2-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
- 영어명
- disodium 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
- 분자식
- C27H18ClF2N5Na2O9S2
- 분자량
- 740.0192664
이름 및 동의어
DTXSID808902092-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)RefChem:465301DTXCID80107913172243-89-1EINECS 276-515-1FSVQGFGIZGYRLT-UHFFFAOYSA-LNS00061987Disodium 1-amino-4-((3-(((5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino)methyl)-4-methoxysulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
물성
구조 계산 물성
- 극성 표면적
- 242 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,350
물리화학적 성질
- EPA
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt (72243-89-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2): INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…