Morpholineoethylamino-3-benzocyclohepta(5,6-c)pyridazine
Basic information
- CAS
115767-94-7- Standard SMILES
Cl.Cl.c1ccc2c(c1)CCCc1cc(NCCN3CCOCC3)nnc1-2- InChIKey
LAROMNHHFPRNET-UHFFFAOYSA-N- Molecular formula
- C19H26Cl2N4O
- Average molar mass
- 397.3 g/mol
- Monoisotopic mass
- 396.1483669
Overview
structure given in first source; selective M1 muscarinic agonist
Names & identifiers
- Preferred name
- Morpholineoethylamino-3-benzocyclohepta(5,6-c)pyridazine
- IUPAC
- N-(2-morpholin-4-ylethyl)-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-amine;dihydrochloride
- English name
- morpholineoethylamino-3-benzocyclohepta(5,6-c)pyridazine
- Molecular formula
- C19H26Cl2N4O
- Molecular weight
- 397.34194
Names & synonyms
115767-94-7SR-95639AMorpholineoethylamino-3-benzocyclohepta(5,6-c)pyridazineDTXSID401511865H-Benzo(6,7)cyclohepta(1,2-c)pyridazin-3-amine, 6,7-dihydro-N-(2-(4-morpholinyl)ethyl)-, dihydrochlorideRefChem:159783DTXCID4073677N-(2-Morpholinoethyl)-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-amine dihydrochloridePrestwick_765SCHEMBL10389077SCHEMBL29766967HMS1569A14
Show more names
CCG-220406SR-01000841214SR-01000841214-2N-[2-(Morpholin-4-yl)ethyl]-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
115767-94-7- PubChem CID
- 195164
- DTXSID
DTXSID40151186
Properties
Computed structural properties
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 112 °C · 112 °C(Solv: ethanol (64-17-5))
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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