Basic information
- CAS
29176-29-2- Standard SMILES
O=C1CCNc2ccc(Cl)cc2N1c1ccccc1- InChIKey
IUJQOUHDFKALCY-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2O
- Average molar mass
- 272.73 g/mol
- Monoisotopic mass
- 272.0716407
Overview
structure
Names & identifiers
- Preferred name
- 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
- IUPAC
- 7-chloro-5-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
- English name
- lofendazam
- Molecular formula
- C15H13ClN2O
- Molecular weight
- 272.73
Names & synonyms
2H-1,5-Benzodiazepin-2-one, 8-chloro-1,3,4,5-tetrahydro-1-phenyl-8-Chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-oneBu-1014RefChem:153941Lofendazam29176-29-27-chloro-5-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one8-Chloro-1,3,4,5-tetrahydro-1-phenyl-2H-1,5-benzodiazepin-2-oneV7O53S50SNLofendazamumLofendazam [INN:BAN]Lofendazamum [INN-Latin]
Show more names
8-chloro-1-phenyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one
UNII-V7O53S50SNBu 1014EINECS 249-488-9LOFENDAZAM [INN]orb1696397SCHEMBL1003371CHEMBL2107159DTXSID30183436
Database identifiers
- CAS
29176-29-2- PubChem CID
- 71709
- DTXSID
DTXSID30183436- ChEMBL
CHEMBL2107159- UNII
- V7O53S50SN
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 532.1 · 532.1±50.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 4.47 · 4.47±0.20(Predicted)
- FDA UNII
- 7 O53S50SN · V7O53S50SN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
4 records
Compound notes
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