기본 정보
- CAS
68957-40-4- 표준 SMILES
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(N(CCC(=O)[O-])c3nc(F)nc(F)c3Cl)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]- InChIKey
IBGZZMMADFIRMG-UHFFFAOYSA-L- 분자식
- C27H16ClF2N5Na2O7S
- 평균 분자량
- 673.9 g/mol
- 단동위원소 질량
- 673.02224153
이름 및 식별자
- 우선 이름
- beta-Alanine, N-(4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, sodium salt (1:2)
- IUPAC
- disodium;3-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-N-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoate
- 영어명
- disodium N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-beta-alaninate
- 분자식
- C27H16ClF2N5Na2O7S
- 분자량
- 673.9395864
이름 및 동의어
68957-40-4EINECS 273-337-6DTXSID10890010.beta.-Alanine, N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, sodium salt (1:2)beta-Alanine, N-(4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, disodium saltbeta-Alanine, N-(4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, sodium salt (1:2)N-(4-(4-Amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-beta-alanine, sodium saltbeta-Alanine, N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, sodium salt (1:2)RefChem:119183DTXCID401078931Disodium N-(4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-beta-alaninatedisodium n-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino]phenyl]-n-(5-chloro-2,6-difluoro-4-pyrimidinyl)-beta-alaninate
이름 더 보기
1-Amino-4-[p-[N-(2-carboxyethyl)-5-chloro-2,6-difluoro-4-pyrimidinylamino]anilino]-9,10-dioxo-2-anthracenesulfonic acid disodium salt
disodium 3-[{4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]phenyl}(5-chloro-2,6-difluoropyrimidin-4-yl)amino]propanoateIBGZZMMADFIRMG-UHFFFAOYSA-LNS00062267.beta.-Alanine, N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, disodium salt
데이터베이스 식별자
- CAS
68957-40-4- PubChem CID
- 111892
- DTXSID
DTXSID10890010- EC Number
- 273-337-6
- Nikkaji
- J29.005J
물성
구조 계산 물성
- 극성 표면적
- 207 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,150
물리화학적 성질
- EPA
- 4 · .beta.-Alanine, N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, disodium salt (68957-40-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: .beta.-Alanine, N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, 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 Information.beta.-Alanine, N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, sodium salt (1:2): INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…