Basic information
- Standard SMILES
Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2- InChIKey
MMCMKWDIEUZMQB-UHFFFAOYSA-N- Molecular formula
- C18H21N5
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17969567
Overview
a pyridobenzodiazepine derivative bioisoster of clozapine
Names & identifiers
- Preferred name
- 8-Methyl-6-(4-methyl-1-piperazinyl)-11H-pyrido(2,3-b)(1,4)benzodiazepine
- IUPAC
- 8-methyl-6-(4-methylpiperazin-1-yl)-11H-pyrido[2,3-b][1,4]benzodiazepine
- English name
- JL 18
- Molecular formula
- C18H21N5
- Molecular weight
- 307.39
Names & synonyms
147395-65-1JL 188-Methyl-6-(4-methyl-1-piperazinyl)-11H-pyrido(2,3-b)(1,4)benzodiazepine2TT8RV9JY8DTXSID701636968-methyl-6-(4-methyl-1-piperazinyl)-11h-pyrido[2,3-b][1,4]benzodiazepineRefChem:914615DTXCID0086187JL-188-methyl-6-(4-methylpiperazin-1-yl)-11h-pyrido[2,3-b][1,4]benzodiazepineCHEMBL63329NCGC00094013-01
Show more names
11H-Pyrido[2,3-b][1,4]benzodiazepine, 8-methyl-6-(4-methyl-1-piperazinyl)-
Lopac-J-10211H-Pyrido[2,3-b][1,4]benzodiazepine,8-methyl-6-(4-methyl-1-piperazinyl)-Lopac0_000646orb1696847SCHEMBL4358144SCHEMBL29477130HMS3262A13Tox21_500646
Database identifiers
- CAS
147395-65-1- PubChem CID
- 3802
- DTXSID
DTXSID70163696- ChEMBL
CHEMBL63329- UNII
- 2TT8RV9JY8
- Nikkaji
- J557.180D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Chemistry & industry
Applications
DescriptionJL 18 is a pyridobenzodiazepine derivative bioisoster of clozapine.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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