Basic information
- CAS
113302-01-5- Standard SMILES
CCN(CC)CCNC1c2ccccc2OCc2ncccc21.Cl.Cl.Cl- InChIKey
IXGYBSQLXMSBBH-UHFFFAOYSA-N- Molecular formula
- C19H28Cl3N3O
- Average molar mass
- 420.8 g/mol
- Monoisotopic mass
- 419.129796
Overview
structure given in first source; RN given refers to (+)-isomer
Names & identifiers
- Preferred name
- KW 5805
- IUPAC
- N-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethylethane-1,2-diamine;trihydrochloride
- English name
- KW 5805
- Molecular formula
- C19H28Cl3N3O
- Molecular weight
- 420.80412
Names & synonyms
KW-5805KW 5805113302-01-5RefChem:15158295968-62-01,2-Ethanediamine, N'-(5,11-dihydro(1)benzoxepino(3,4-b)pyridin-5-yl)-N,N-diethyl-, trihydrochloride, (+)-1,2-Ethanediamine, N,N-diethyl-N'-(5,11-dihydro(1)benzoxepino(3,4-b)pyridin-5-yl)-, hydrochloride, hydrate (1:3:1)orb2664197DTXSID709147215-(2-(Diethylamino)ethyl)amino-5,11-dihydro(1)-benzoxepino(3,4-b)pyridine trihydrochlorideN-(5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl)-N',N'-diethylethane-1,2-diamine;trihydrochlorideHY-117358
Show more names
T89340N~2~-(5,11-Dihydro[1]benzoxepino[3,4-b]pyridin-5-yl)-N~1~,N~1~-diethylethane-1,2-diamine--hydrogen chloride (1/3)
Database identifiers
- CAS
113302-01-5、95968-62-0- PubChem CID
- 175662
Properties
Computed structural properties
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 348
Chemistry & industry
Applications
DescriptionKW 5805 is a novel antiulcer agent that increases biosynthesis, storage and secretion of gastric mucus and improves the gastric mucosal hemodynamics.
UsesKW-5805 is an anti-ulcer agent that promotes the biosynthesis, storage and secretion of gastric mucus, improves gastric mucosal hemodynamics, and inhibits the decrease in gastric mucosal blood volume and mucosal oxygenation caused by steroid shock[1].
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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