11-(N-methylnipecotyl)-6,11-dihydro-5H-pyrido(2,3-b)-1,5-benzodiazepin-5-one
Basic information
- CAS
96449-05-7- Standard SMILES
CN1CCCC(C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1- InChIKey
LPLNSPKKMWHFAU-UHFFFAOYSA-N- Molecular formula
- C19H20N4O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.15862589
Names & identifiers
- Preferred name
- 11-(N-methylnipecotyl)-6,11-dihydro-5H-pyrido(2,3-b)-1,5-benzodiazepin-5-one
- IUPAC
- 11-(1-methylpiperidine-3-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
- English name
- Rispenzepine
- Molecular formula
- C19H20N4O2
- Molecular weight
- 336.39
Names & synonyms
11-(N-Methylnipecotyl)-6,11-dihydro-5H-pyrido(2,3-b)-1,5-benzodiazepin-5-oneRefChem:179495Rispenzepine96449-05-7Rispenzepine [INN]11-(1-methylpiperidine-3-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-oneW99LLM73R711-(1-methylpiperidine-3-carbonyl)-6,11-dihydro-5H-benzo[b]pyrido[2,3-e][1,4]diazepin-5-oneUNII-W99LLM73R7rispenzepinaSCHEMBL211765orb1706711
Show more names
5H-Pyrido[2,3-b][1,5]benzodiazepin-5-one, 6,11-dihydro-11-[(1-methyl-3-piperidinyl)carbonyl]-11-[(1-methyl-piperidine-3-yl)-carbonyl]-6,11-dihydro-5H-pyrido[2,3-b][1,5]-benzodiazepine-5-one
CHEMBL2106612DTXSID60869271HY-U00030AKOS040742555CS-6598DA-67226NS00123261T16758
Database identifiers
- CAS
96449-05-7- PubChem CID
- 129505
- DTXSID
DTXSID60869271- ChEMBL
CHEMBL2106612- UNII
- W99LLM73R7
- Nikkaji
- J245.607I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 99 LLM73R7 · W99LLM73R7
Chemistry & industry
Applications
UsesRispenzepine is a novel antimuscarinic compound with a preferential action at M1, and M3 receptor subtypes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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