2,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-5-((phenylamino)carbonyl)-2H-tetrazolium hydroxide
Grundinformationen
- CAS
117038-70-7- Standard-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- Summenformel
- C22H17N7O13S2
- Durchschnittliche Molmasse
- 651,5 g/mol
- Monoisotopische Masse
- 651,03257597
Überblick
structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- 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
Namen und Synonyme
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
Datenbank-Bezeichner
- CAS
117038-70-7- PubChem CID
- 5704
- ChEMBL
CHEMBL3546154- UNII
- G6SHJ3NX67
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 302 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 15
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 44
- Formalladung
- 0
- Komplexität
- 1.260
Chemie und Industrie
Pharmakologische Informationen
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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