Basic information
- CAS
54663-44-4- Standard SMILES
CC[N+](C)(CC)CCSC1=Nc2ccccc2N=C(c2ccc(Sc3ccccc3)cc2)C1- InChIKey
MAJFXTGRPADJLU-UHFFFAOYSA-N- Molecular formula
- C28H32N3S2+
- Average molar mass
- 474.7 g/mol
- Monoisotopic mass
- 474.20376538
Overview
Tibezonium is a benzodiazepine.
Names & identifiers
- Preferred name
- Tibezonium
- IUPAC
- diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium
Names & synonyms
TibezoniumTibezonium [WHO-DD]Tibezonium ionTibezonium cationUNII-R1D66N3R0Y54663-44-4Tibenzonium iodideDiethylmethyl(2-((4-(p-(phenylthio)phenyl)-3H-1,5-benzodiazepin-2-yl)thio)ethyl)ammoniumthiabenzonium iodideRefChem:1899592-methyldiethylaminoethyl-4-p-phenylthiophenyl-3H-(1,5)benzodiazepine iodideR1D66N3R0Y
Show more names
NSC308905Tibezonium (*iodide salt*)CHEMBL2111016SCHEMBL18683205SCHEMBL29387817CHEBI:135766diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azaniumQ27287660
Database identifiers
- CAS
54663-44-4- PubChem CID
- 432452
- ChEMBL
CHEMBL2111016- ChEBI
CHEBI:135766- UNII
- R1D66N3R0Y
- Nikkaji
- J324.220J
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 658
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…