기본 정보
- CAS
71002-17-0- 표준 SMILES
Cc1c(Nc2nc(Cl)nc(Nc3ccccc3S(=O)(=O)O)n2)cc(S(=O)(=O)O)cc1N1N=C(C(=O)O)C(N=Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(=O)(=O)O)n3)cc2S(=O)(=O)O)C1=O.[Na+].[Na+].[Na+].[Na+]- InChIKey
JWGGSWPDRAFICC-UHFFFAOYSA-N- 분자식
- C35H26Cl2N14Na4O15S4+4
- 평균 분자량
- 1,173.8 g/mol
- 단동위원소 질량
- 1,171.9552734
이름 및 식별자
- 우선 이름
- 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-, tetrasodium salt
- IUPAC
- tetrasodium;1-[3-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[[4-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-5-oxo-4H-pyrazole-3-carboxylic acid
이름 및 동의어
71002-17-0JWGGSWPDRAFICC-UHFFFAOYSA-N1-(3-((4-Chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, tetrasodium salt1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-, tetrasodium salt1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-(2-(4-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:4)
데이터베이스 식별자
- CAS
71002-17-0- PubChem CID
- 91666483
물성
구조 계산 물성
- 극성 표면적
- 471 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 28
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 74
- 형식 전하
- 4
- 복잡도
- 2,410
화학 및 산업
용도 및 제조
General Manufacturing Information
1H-Pyrazole-3-carboxylic acid, 1-[3-[[4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[2-[4-[[4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-, sodium salt (1:4): INACTIVE
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