기본 정보
- CAS
66142-94-7- 표준 SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1c(O)cc(S(=O)(=O)N(CCO)CCO)c2ccccc12- InChIKey
NPCQCUDIAGLXGU-UHFFFAOYSA-N- 분자식
- C24H25N5O6S
- 평균 분자량
- 511.6 g/mol
- 단동위원소 질량
- 511.15255471
이름 및 식별자
- 우선 이름
- 1-Naphthalenesulfonamide, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-3-hydroxy-N,N-bis(2-hydroxyethyl)-
- IUPAC
- 3-hydroxy-N,N-bis(2-hydroxyethyl)-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonamide
이름 및 동의어
DTXSID708867771-Naphthalenesulfonamide, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-3-hydroxy-N,N-bis(2-hydroxyethyl)-1-Naphthalenesulfonamide, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-3-hydroxy-N,N-bis(2-hydroxyethyl)-RefChem:434806DTXCID40102609766142-94-71-Naphthalenesulfonamide, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxy-N,N-bis(2-hydroxyethyl)-1-Naphthalenesulfonamide, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-N,N-bis(2-hydroxyethyl)-1-Phenyl-3-methyl-4-(4'-bis(2''-hydroxyethyl)aminosulfonyl-2'-hydroxynaphthaleneazo)-5-pyrazoloneNPCQCUDIAGLXGU-UHFFFAOYSA-N3-Hydroxy-N,N-bis(2-hydroxyethyl)-4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonamide
데이터베이스 식별자
- CAS
66142-94-7- PubChem CID
- 105294
- DTXSID
DTXSID70886777- Nikkaji
- J453.356I
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 926
화학 및 산업
용도 및 제조
General Manufacturing Information1-Naphthalenesulfonamide, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-3-hydroxy-N,N-bis(2-hydroxyethyl)-: INACTIVE
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