Basic information
- CAS
4196-18-3- Standard SMILES
CNCCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21.Cl.Cl- InChIKey
QCJXYVJHRXGBMA-UHFFFAOYSA-N- Molecular formula
- C19H21Cl3FN3O
- Average molar mass
- 432.7 g/mol
- Monoisotopic mass
- 431.073424
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrochloride (1:2)
- IUPAC
- 7-chloro-5-(2-fluorophenyl)-1-[3-(methylamino)propyl]-3H-1,4-benzodiazepin-2-one;dihydrochloride
Names & synonyms
4196-18-32H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(3-(methylamino)propyl)-, dihydrochlorideDTXSID408840432H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-1-(3-(methylamino)propyl)-, dihydrochloride2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(3-(methylamino)propyl)-, hydrochloride (1:2)2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-fluorophenyl)-1,3-dihydro-1-(3-(methylamino)propyl)-, dihydrochloride2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, dihydrochloride2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrochloride (1:2)RefChem:90085DTXCID501023515QCJXYVJHRXGBMA-UHFFFAOYSA-N7-Chloro-5-(2-fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one--hydrogen chloride (1/2)
Database identifiers
- CAS
4196-18-3- PubChem CID
- 20165
- DTXSID
DTXSID40884043
Properties
Computed structural properties
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrochloride (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…