CAS 86134-80-7 Bmy 25368 (HCID 135156)

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Basic information

CAS: 86134-80-7
Standard SMILES: Nc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O
InChIKey: KSBYXRUNSLGUNE-UHFFFAOYSA-N
Molecular formula: C19H25N3O3
Average molar mass: 343.4 g/mol
Monoisotopic mass: 343.18959167

Names & identifiers

Preferred name: Bmy 25368
IUPAC: 3-amino-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione
English name: BMY 25368
Molecular formula: C19H25N3O3
Molecular weight: 343.42

Names & synonyms

Bmy-2536886134-80-7Bmy 25368SKF-944828V3S9M26DESkf 944823-Cyclobutene-1,2-dione, 3-amino-4-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-DTXSID50235421SK&F-94482RefChem:120794DTXCID501579123-amino-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione

Show more names

3-Amino-4-[3-(3-piperidinomethylphenoxy)propylamino]-3-cyclobutene-1,2-dione3-Cyclobutene-1,2-dione, 3-amino-4-[[3-[3-(1-piperidinylmethyl)phenoxy]propyl]amino]-

CHEMBL4643501KSBYXRUNSLGUNE-UHFFFAOYSA-NSK&F 94482UNII-8V3S9M26DEorb1703670SCHEMBL4607536SCHEMBL29398999GLXC-05749

Database identifiers

CAS: 86134-80-7
PubChem CID: 135156
DTXSID: DTXSID50235421
ChEMBL: CHEMBL4643501
UNII: 8V3S9M26DE
Nikkaji: J441.132C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 526

Physicochemical properties

Boiling point: 501.4 · 501.4±60.0 °C(Predicted)
Density: 1.24 · 1.24±0.1 g/cm3(Predicted)
pka: 8.97 · 8.97±0.10(Predicted)
FDA UNII: 8 V3S9M26DE · 8V3S9M26DE

Chemistry & industry

Applications · 1 item

UsesBMY-25368 (SKF 94482) is a histamine H2 receptor antagonist that acts as a gastric acid secretion inhibitor. BMY-25368 competitively antagonizes gastric secretion stimulated by histamine and also antagonizes gastric secretion stimulated by Pentagastrin (HY-A0261), Bethanechol (HY-B0406), and food[1].