Pyridinium, 3-carboxy-1-[4-[(4-chloro-3-sulfophenyl)amino]-6-[[5-hydroxy-6-[2-(4-methoxy-2-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]-, inner salt, potassium sodium salt (1:?:?)
기본 정보
- CAS
109125-54-4- 표준 SMILES
COc1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(Nc4nc(Nc5ccc(Cl)c(S(=O)(=O)[O-])c5)nc(-[n+]5cccc(C(=O)O)c5)n4)ccc3c2O)c(S(=O)(=O)[O-])c1.[K+].[Na+]- InChIKey
JJJJKUQSPWEKEZ-UHFFFAOYSA-L- 분자식
- C32H21ClKN8NaO13S3
- 평균 분자량
- 919.3 g/mol
- 단동위원소 질량
- 917.9613497
이름 및 식별자
- 우선 이름
- Pyridinium, 3-carboxy-1-[4-[(4-chloro-3-sulfophenyl)amino]-6-[[5-hydroxy-6-[2-(4-methoxy-2-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]-, inner salt, potassium sodium salt (1:?:?)
- IUPAC
- potassium;sodium;7-[[4-(3-carboxypyridin-1-ium-1-yl)-6-(4-chloro-3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
이름 및 동의어
Pyridinium, 3-carboxy-1-(4-((4-chloro-3-sulfophenyl)amino)-6-((5-hydroxy-6-((4-methoxy-2-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)-, inner salt, potassium sodium saltPyridinium, 3-carboxy-1-(4-((4-chloro-3-sulfophenyl)amino)-6-((5-hydroxy-6-(2-(4-methoxy-2-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)-, inner salt, potassium sodium salt (1:?:?)Pyridinium, 3-carboxy-1-[4-[(4-chloro-3-sulfophenyl)amino]-6-[[5-hydroxy-6-[2-(4-methoxy-2-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]-, inner salt, potassium sodium salt (1:?:?)RefChem:177678109125-54-4
데이터베이스 식별자
- CAS
109125-54-4- PubChem CID
- 136086313
물성
구조 계산 물성
- 극성 표면적
- 355 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,730
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: Pyridinium, 3-carboxy-1-[4-[(4-chloro-3-sulfophenyl)amino]-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]-, hydroxide, inner salt, potassium sodium salt
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety Information
IMAP assessments - Pyridinium, 3-carboxy-1-[4-[(4-chloro-3-sulfophenyl)amino]-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]-, hydroxide, inner salt, potassium sodium salt: Human health tier I assessment
화학 및 산업
용도 및 제조
General Manufacturing InformationPyridinium, 3-carboxy-1-[4-[(4-chloro-3-sulfophenyl)amino]-6-[[5-hydroxy-6-[2-(4-methoxy-2-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]-, inner salt, potassium sodium salt (1:?:?): ACTIVE
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