Basic information
- CAS
85118-42-9- Standard SMILES
CN1c2cc(F)ccc2C(c2ccccc2)=NCC1CNC(=O)c1ccoc1- InChIKey
QJSCDZOUCFWCKD-UHFFFAOYSA-N- Molecular formula
- C22H20FN3O2
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.15395505
Names & identifiers
- Preferred name
- Lufuradom
- IUPAC
- N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
- English name
- N-[(8-fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-benzo-1,4-diazepin-2-yl)methyl]-3-furamide
- Molecular formula
- C22H20FN3O2
- Molecular weight
- 377.41
Names & synonyms
Lufuradom85118-42-994006-14-1Lufuradom [INN]EINECS 301-351-5GS8D070P7WN-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide(+-)-N-((8-Fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-yl)methyl)-3-furamideN-((8-Fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-benzo-1,4-diazepin-2-yl)methyl)-3-furamideN-[(8-Fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-yl)methyl]-3-furancarboxamideUNII-GS8D070P7Worb1696313
Show more names
N-[(8-fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-benzo-1,4-diazepin-2-yl)methyl]-3-furamide3-Furancarboxamide, N-[(8-fluoro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-yl)methyl]-
SCHEMBL2108973CHEMBL2107178DTXSID50868859QJSCDZOUCFWCKD-UHFFFAOYSA-NZINC00607947AKOS040752729FF102093N-[(8-fluoro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl]furan-3-carboxamide
Database identifiers
- CAS
85118-42-9、94006-14-1- PubChem CID
- 3045400
- DTXSID
DTXSID50868859- ChEMBL
CHEMBL2107178- UNII
- GS8D070P7W
- EC Number
- 301-351-5
- Nikkaji
- J35.095H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 572.3 · 572.3±50.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.46(Predicted)
Chemistry & industry
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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