Basic information
- CAS
121798-89-8- Standard SMILES
CN1CCCC(C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1.Cl- InChIKey
OSLNWPFLHSLBPY-UHFFFAOYSA-N- Molecular formula
- C19H21ClN4O2
- Average molar mass
- 372.8 g/mol
- Monoisotopic mass
- 372.1353036
Overview
shows low affinity for neuronal M1 and heart M2 muscarinic receptors and high affinity for intestinal smooth muscle muscarinic receptors; RN from Toxlit 12/89
Names & identifiers
- Preferred name
- DF 594
- IUPAC
- 11-(1-methylpiperidine-3-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride
- English name
- DF 594
- Molecular formula
- C19H21ClN4O2
- Molecular weight
- 372.85
Names & synonyms
DF 594DF-594121798-89-8RefChem:132431SCHEMBL2230194DTXSID70923959(5-Hydroxy-11H-pyrido[2,3-b][1,5]benzodiazepin-11-yl)(1-methylpiperidin-3-yl)methanone--hydrogen chloride (1/1)5H-Pyrido(2,3-b)(1,5)benzodiazepin-5-one, 6,11-dihydro-11-((1-methyl-3-piperidinyl)carbonyl)-, monohydrochloride11-(1-methylpiperidine-3-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Database identifiers
- CAS
121798-89-8- PubChem CID
- 129504
- DTXSID
DTXSID70923959
Properties
Computed structural properties
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Chemistry & industry
Applications
DescriptionDF 594 is an antispasmodic that shows low affinity for neuronal M1 and heart M2 muscarinic receptors and high affinity for intestinal smooth muscle muscarinic receptors.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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