N-Methylbromazepam
Basic information
- CAS
1812-33-5- Standard SMILES
CN1C(=O)CN=C(c2ccccn2)c2cc(Br)ccc21- InChIKey
GIBKFDFZIZIKGJ-UHFFFAOYSA-N- Molecular formula
- C15H12BrN3O
- Average molar mass
- 330.18 g/mol
- Monoisotopic mass
- 329.01637
Overview
urinary metabolite of bromazepam; structure given in first source
Names & identifiers
- Preferred name
- N-Methylbromazepam
- IUPAC
- 7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
- English name
- N-Methyl bromoazepam
- Molecular formula
- C15H12BrN3O
- Molecular weight
- 330.18
Names & synonyms
N-Methylbromazepam1812-33-5DTXSID60171083RefChem:163805DTXCID8093574N-Methyl bromoazepam7-bromo-1-methyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-oneN1-Methyl Bromazepam2H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-1-methyl-5-(2-pyridinyl)-7-Bromo-1,3-dihydro-1-methyl-5-(2-pyridinyl)-2H-1,4-benzodiazepin-2-one; 7-Bromo-1,3-dihydro-1-methyl-5-(2-pyridyl)-2H-1,4-Benzodiazepin-2-oneSCHEMBL20369049GIBKFDFZIZIKGJ-UHFFFAOYSA-N
Show more names
Tolbutamide Impurity 5-d9
N1-Methyl Bromazepam (1.0mg/ml in Acetonitrile)7-Bromo-1-methyl-5-(2-pyridinyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one #7-Bromo-1-methyl-5-(pyridin-2-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
1812-33-5- PubChem CID
- 630183
- DTXSID
DTXSID60171083
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Melting point
- 135.5 · 135.5-137.0 °C
- Boiling point
- 534.6 · 534.6±50.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 2 · 2.00±0.19(Predicted)
Chemistry & industry
Applications
UsesN1-(Methyl-d3) Bromazepam is the labelled form of N1-Methyl Bromazepam (M293010). N1-Methyl Bromazepam is a metabolite of Bromazepam (B678500). Bromazepam is used as a psychotropic drug that acts on psychic function and behaviour.
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Related reactions
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Compound notes
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