Basic information
- CAS
58662-84-3- Standard SMILES
C[C@@H]1N=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2NC1=O- InChIKey
LMUVYJCAFWGNSY-VIFPVBQESA-N- Molecular formula
- C16H12ClN3O3
- Average molar mass
- 329.74 g/mol
- Monoisotopic mass
- 329.05671892
Names & identifiers
- Preferred name
- Meclonazepam
- IUPAC
- (3S)-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
Meclonazepam58662-84-3MeclonazepamumRN43209SMARo 11-3128DTXSID10207366Ro 11-3128/002(+)-(S)-5-(o-Chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one3-Methylclonazepam2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-, (S)-Meclonazepam, (S)-Ro-11-3128
Show more names
Meclonazepam solutionMeclonazepam, 3-Methylclonazepam(3S)-5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one(S)-5-(2-Chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one(3S)-5-(2-Chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-, (3S)-
RefChem:156207DTXCID101298575-(2-Chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-2H-1,4-benzodiazepin-2-oneRo11-3128RO 11-3128 002RO 11-3128-0022H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-3-methyl-7-nitro-Meclonazepam [INN]
Database identifiers
Properties
Computed structural properties
- 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
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Benzodiazepines
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP2.72
Physicochemical properties
- Boiling point
- 522.1 · 522.1±50.0 °C(Predicted)
- Density
- 1.46 · 1.46
- storage temp.
- -20 °C · -20°C
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 25 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Methanol: 1 mg/ml
- form
- A crystalline solid
- pka
- 11.24 · 11.24±0.70(Predicted)
- color
- White to off-white
- Major Application
- clinical testing
- InChI
- 1S/C16H12ClN3O3/c1-9-16(21)19-14-7-6-10(20(22)23)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,21)/t9-/m0/s1
- InChIKey
- LMUVYJCAFWGNSY-VIFPVBQESA-N
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
- wgk
- WGK 2
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H301+H311+H331-H370
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- Precautionary statements
- P210-P280-P302+P352+P312-P304+P340+P311-P370+P378-P403+P235
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that act systemically to kill adult schistosomes.
Applications
UsesMeclonazepam-d4, is the labeled analogue of Meclonazepam (M202790), a drug of a benzodiazepine class similar in structure to Clonazepam (C587080). It has sedative and anxiolytic properties. It has also shown to have anti-parasitic effects against the parasitic worm Schistosoma mansoni.
Related reactions
2 records
Compound notes
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