5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
67027-56-9- Standard SMILES
CC1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O- InChIKey
LMUVYJCAFWGNSY-UHFFFAOYSA-N- Molecular formula
- C16H12ClN3O3
- Average molar mass
- 329.74 g/mol
Names & identifiers
- Preferred name
- 5-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one
- IUPAC
- 5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
- English name
- meclonazepam
- Molecular formula
- C16H12ClN3O3
- Molecular weight
- 329.74
Names & synonyms
67027-56-9(+/-)-Meclonazepam(RS)-Ro 11-3128/002(?)-Meclonazepam5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-oneMeclonazepam, (+/-)-Ro 11-3128;Ro 11-3128/002S2LNK3PC4USCHEMBL7269783LMUVYJCAFWGNSY-UHFFFAOYSA-NICA662845-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Show more names
(±)-Meclonazepam2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-
( inverted exclamation markA)-MeclonazepamHY-169445(+)-5-(o-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-onerac-5-(o-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
67027-56-9- PubChem CID
- 93364
- UNII
- S2LNK3PC4U
- Nikkaji
- J1.586.195I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Boiling point
- 522.1 · 522.1±50.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 25 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml
- form
- A solid
- pka
- 11.24 · 11.24±0.70(Predicted)
- FDA UNII
- 2 LNK3PC4U · S2LNK3PC4U
Chemistry & industry
Applications
Description(±)-Meclonazepam is an analytical reference standard categorized as a benzodiazepine.1 This product is intended for research and forensic applications.
Uses(±)-Meclonazepam ((±)-Ro 11-3128) is the racemate of Meclonazepam (HY-101725). Meclonazepam (Ro 11-3128) is a benzodiazepine compound with anxiolytic effect[1]. Meclonazepam exhibits antischistosomal activity against S. mansoni[2].
Related reactions
7 records
Compound notes
Loading…