기본 정보
- CAS
117038-70-7- 표준 SMILES
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1-n1nc(C(=O)Nc2ccccc2)n[n+]1-c1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1OC- InChIKey
CFBVWCHTNQHZLT-UHFFFAOYSA-N- 분자식
- C22H17N7O13S2
- 평균 분자량
- 651.5 g/mol
- 단동위원소 질량
- 651.03257597
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 2,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2H-tetrazolium hydroxide
- IUPAC
- 4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfophenyl)-5-(phenylcarbamoyl)tetrazol-2-ium-2-yl]-2-nitrobenzenesulfonate
이름 및 동의어
Xtt tetrazolium117038-70-72,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2H-tetrazolium hydroxideG6SHJ3NX672,3-bis (2-methoxy-4-nitro-5-sulfophenyl)-2h-tetrazolium-5-carboxanilideRefChem:814912,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-2H-tetrazolium inner saltCHEMBL3546154SCHEMBL29393905SCHEMBL316830512H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-, hydroxide, inner salt2H-Tetrazolium, 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-, inner salt
데이터베이스 식별자
- CAS
117038-70-7- PubChem CID
- 5704
- ChEMBL
CHEMBL3546154- UNII
- G6SHJ3NX67
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 302 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,260
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
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