Basic information
- CAS
57938-82-6- Standard SMILES
CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2.CS(=O)(=O)O- InChIKey
FENBITQPWFCMEB-UHFFFAOYSA-N- Molecular formula
- C20H22ClN5O3S
- Average molar mass
- 447.9 g/mol
- Monoisotopic mass
- 447.11318824
Overview
See also: Adinazolam (has active moiety).
Names & identifiers
- Preferred name
- Adinazolam Mesylate
- IUPAC
- 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine;methanesulfonic acid
- English name
- adinazolam mesylate
- Molecular formula
- C20H22ClN5O3S
- Molecular weight
- 447.93838
Names & synonyms
ADINAZOLAM MESYLATE57938-82-6adinazolam mesilateAdinazolam methanesulfonateU-41,123FNT8S62A727U-41123FDTXSID00206641RefChem:109785DTXCID30129132Adinazolam mesylate [USAN]Deracyn
Show more names
1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine;methanesulfonic acidAdinazolam mesylate (USAN)4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-methanamine, 8-chloro-N,N-dimethyl-6-phenyl-, monomethanesulfonate8-Chloro-1-((dimethylamino)methyl)-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine monomethanesulfonateUNII-NT8S62A7278-Chloro-1-[(dimethylamino)methyl]-6-phenyl-4H-S-triazolo[4,3-a][1,4]benzodiazepine monomethanesulfonateU 41,123FAdinazolam monomethanesulfonate
Database identifiers
- CAS
57938-82-6- PubChem CID
- 42611
- DTXSID
DTXSID00206641- ChEMBL
CHEMBL2106672- UNII
- NT8S62A727
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Melting point
- 230 · 230-244°
- FDA UNII
- 8 S62A727 · NT8S62A727
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety data
- ridadr
- 3249
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
UsesAntidepressant.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…