Basic information
- CAS
106669-71-0- Standard SMILES
NC(=NCCCc1cnc[nH]1)NCCC(c1ccc(F)cc1)c1ccccn1- InChIKey
KZZIVOLMJPSDEP-UHFFFAOYSA-N- Molecular formula
- C21H25FN6
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.21247299
Overview
structure given in first source
Names & identifiers
- Preferred name
- Arpromidine
- IUPAC
- 1-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
- English name
- arpromidine
- Molecular formula
- C21H25FN6
- Molecular weight
- 380.46
Names & synonyms
ArpromidineArpromidina106669-71-0Arpromidinum85713MT0EHDTXSID50869467(+-)-1-(3-(p-Fluorophenyl)-3-(2-pyridyl)propyl)-3-(3-imidazol-4-ylpropyl)guanidineGuanidine, N-(3-(4-fluorophenyl)-3-(2-pyridinyl)propyl)-N'-(3-(1H-imidazol-4-yl)propyl)-1-(3-(4-fluorophenyl)-3-pyridin-2-ylpropyl)-2-(3-(3H-imidazol-4-yl)propyl)guanidine1-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(3H-imidazol-4-yl)propyl]guanidineRefChem:114163DTXCID10817449
Show more names
BU-E-50HE-903711-[3-(4-Fluorophenyl)-3-(2-pyridyl)propyl]-2-[3-(1H-imidazol-4-yl)propyl]guanidineGuanidine, N-[3-(4-fluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-5-yl)propyl]-
N(1)-(3-(4-fluorophenyl)-3-pyridine-2-ylpropyl)-N(2)-(3-(1H-imidazol-4-yl)propyl)guanidineArpromidine [INN]Arpromidinum [INN-Latin]Arpromidina [INN-Spanish]UNII-85713MT0EH1-[3-(4-fluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidineSCHEMBL138015CHEMBL293802
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 466
Physicochemical properties
- Boiling point
- 591 · 591.0±60.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 14.66 · 14.66±0.10(Predicted)
- FDA UNII
- 85713 MT0EH · 85713MT0EH
Chemistry & industry
Applications
UsesArpromidine (BU-E-50) is the agonist for histamine H2 receptor and the antagonist for histamine H1 receptor. Arpromidine exhibits positive inotropic effect with less risks in causing arrhythmias. Arpromidine can be used in research of congestive heart failure[1].
Upstream & downstream products
Upstream raw materials
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…