Basic information
- CAS
135748-32-2- Standard SMILES
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2.O.O- InChIKey
BTXVPVVNJNBVPC-UHFFFAOYSA-N- Molecular formula
- C17H17ClN4O2
- Average molar mass
- 344.8 g/mol
- Monoisotopic mass
- 344.1040035
Names & identifiers
- Preferred name
- Alprazolam dihydrate
- IUPAC
- 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;dihydrate
Names & synonyms
Alprazolam dihydrateUNII-2I8KVA57TM2I8KVA57TM135748-32-2DTXSID001595074H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-, dihydrateRefChem:111428DTXCID3081998Q272547798-Chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine--water (1/2)
Database identifiers
- CAS
135748-32-2- PubChem CID
- 178274
- DTXSID
DTXSID00159507- UNII
- 2I8KVA57TM
Properties
Computed structural properties
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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