N-desmethyladinazolam mesylate
Basic information
- CAS
111317-35-2- Standard SMILES
CNCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2.CS(=O)(=O)O- InChIKey
XBBBHTCBPLIACE-UHFFFAOYSA-N- Molecular formula
- C19H20ClN5O3S
- Average molar mass
- 433.9 g/mol
- Monoisotopic mass
- 433.0975384
Names & identifiers
- Preferred name
- N-desmethyladinazolam mesylate
- IUPAC
- 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine;methanesulfonic acid
Names & synonyms
N-Desmethyladinazolam mesylate111317-35-2DTXSID701495914H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-methanamine, 8-chloro-N-methyl-6-phenyl-, monomethanesulfonateRefChem:363839DTXCID30720821-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine;methanesulfonic acidMethanesulfonic acid--1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine (1/1)
Database identifiers
- CAS
111317-35-2- PubChem CID
- 183246
- DTXSID
DTXSID70149591
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 557
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…