Basic information
- CAS
87646-83-1- Standard SMILES
C[C@@H]1N=C(c2ccccc2Cl)c2c(ccc(NC(=O)NC(C)(CO)CO)c2Br)N(C)C1=O- InChIKey
DEYVHVVHCGGWLZ-LBPRGKRZSA-N- Molecular formula
- C22H24BrClN4O4
- Average molar mass
- 523.8 g/mol
- Monoisotopic mass
- 522.06695
Overview
Lodazecar is a small molecule drug. Lodazecar has a monoisotopic molecular weight of 522.07 Da.
Names & identifiers
- Preferred name
- Lodazecar
- IUPAC
- 1-[(3S)-6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
- English name
- Lodazecar
- Molecular formula
- C22H24BrClN4O4
- Molecular weight
- 523.81
Names & synonyms
LodazecarLodazecar [INN]LodazecarumLodazecarum [Latin]Ro 16-0521UNII-T4D9016A00T4D9016A00DTXSID80236542Lodazecarum (Latin)1-(1,1-Bis(hydroxymethyl)ethyl)-3-((S)-6-bromo-5-(o-chlorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)ureaRefChem:153931DTXCID10159033
Show more names
N-[[(3S)-6-Bromo-5-(2-chlorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin]-7-yl]-N'-[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]urea
87646-83-11-[(3S)-6-bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-3H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea1-(6-bromo-5-(o-chlorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-3-(1,1-bis(hydroxymethyl)ethyl)ureaRo-16-0521orb1696400SCHEMBL1812409CHEMBL2105104DEYVHVVHCGGWLZ-LBPRGKRZSA-N
Database identifiers
- CAS
87646-83-1- PubChem CID
- 65657
- DTXSID
DTXSID80236542
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 735
Physicochemical properties
- Boiling point
- 728.146 · 728.146±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.543 · 1.543±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.139 · 12.139±0.46(predicted)
- FDA UNII
- 4 D9016A00 · T4D9016A00
Chemistry & industry
Suppliers2 total
Wuhan Han Sheng New Material Technology Co.，Ltd+86-17798174412 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
1 records
Compound notes
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