Basic information
- CAS
84031-17-4- Standard SMILES
COCC1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1C- InChIKey
WABYCCJHARSRBH-UHFFFAOYSA-N- Molecular formula
- C18H18BrClN2O
- Average molar mass
- 393.7 g/mol
- Monoisotopic mass
- 392.0291
Overview
Metaclazepam is a benzodiazepine.
Names & identifiers
- Preferred name
- Metaclazepam
- IUPAC
- 7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
- English name
- metaclazepam
- Molecular formula
- C18H18BrClN2O
- Molecular weight
- 393.71
Names & synonyms
MetaclazepamBrometazepam84031-17-4MetuclazepamMetaclazepamumKC-25477-Bromo-5-(o-chlorophenyl)-2,3-dihydro-2-(methoxymethyl)-1-methyl-1H-1,4-benzodiazepineC2N2B1303LDTXSID409051211H-1,4-Benzodiazepine, 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-(methoxymethyl)-1-methyl-Ka-2527RefChem:156760
Show more names
KC 2547METACLAZEPANKC-2547：TalisTalis (pharmaceutical)7-Bromo-5-(2-chlorophenyl)-2，3-dihydro-2-(methoxymethyl)-1-methyl-1 H-1，4-benzodiazepine
DTXCID3013342271H-1,4-Benzodiazepine, 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-methoxy-1-methyl-Metaclazepam [INN]Metaclazepam free baseTalisKA-25477-Bromo-5-(2-chlorophenyl)-2,3-dihydro-2-(methoxymethyl)-1-methyl-1H-1,4-benzodiazepine7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
Database identifiers
- CAS
84031-17-4- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 472.4 · 472.4±45.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 4.14 · 4.14±0.65(Predicted)
- FDA UNII
- 2 N2B1303L · C2N2B1303L
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesBenzodiazepines. Used for antidepressant.
UsesA QTrap liquid chromatography/ tandem mass spectrometry system is used in analysis to identify 7-Bromo-5-(2-chlorophenyl)-2,3-dihydro-2-(methoxymethyl)-1-methyl-1H-1,4-benzodiazepine
Upstream & downstream products
Upstream raw materials
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
滁州市科迈尔化工科技有限公司0550-5196001 15000891977 · [email protected]
爱诗伦生物科技（上海）有限公司021-50676523 18019098996 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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