Butalamine
Basic information
- CAS
22131-35-7- Standard SMILES
CCCCN(CCCC)CCNc1nc(-c2ccccc2)no1- InChIKey
VYWQZAARVNRSTR-UHFFFAOYSA-N- Molecular formula
- C18H28N4O
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.22631153
Overview
Butalamine is a ring assembly and an oxadiazole.
Names & identifiers
- Preferred name
- Butalamine
- IUPAC
- N',N'-dibutyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
- English name
- butalamine
- Molecular formula
- C18H28N4O
- Molecular weight
- 316.44
Names & synonyms
Butalamine22131-35-7ButalaminaButalaminumLA 1221 FREE BASELA-1221 FREE BASEN,N-Dibutyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2-ethanediamine140T9JTG43DTXSID1022710RefChem:121970DTXCID902710C04AX23
Show more names
3-Phenyl-5-(dibutylaMinoethylaMino)-1,2,4-oxadiazole5-[2-(Dibutylamino)ethylamino]-3-phenyl-1,2,4-oxadiazoleN1,N1-Dibutyl-N2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2-ethanediaMi1,2-Ethanediamine, N1,N1-dibutyl-N2-(3-phenyl-1,2,4-oxadiazol-5-yl)-
N-(2-(dibutylamino)ethyl)-3-phenyl-1,2,4-oxadiazol-5-amine244-794-9N',N'-dibutyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamineButalamine (INN)5-[[2-(Dibutylamino)ethyl]amino]-3-phenyl-1,2,4-oxadiazoleBUTALAMINE [INN]1,2-Ethanediamine, N,N-dibutyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)-1794766-45-2
Database identifiers
- CAS
22131-35-7- PubChem CID
- 30949
- DTXSID
DTXSID1022710- ChEMBL
CHEMBL1697825- ChEBI
CHEBI:135354- UNII
- 140T9JTG43
- EC Number
- 244-794-9
- Nikkaji
- J10.898G
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- storage temp.
- Refrigerator
- solubility
- Chloroform )Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Dark Brown
- FDA UNII
- 140 T9JTG43 · 140T9JTG43
- ATC code
- 4 AX23 · C04AX23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Applications
UsesButalamine is a vasodilator (peripheral) with local anesthetic effects. Butalamine has been shown to inhibit state 3 respiration and decrease ADP/O in rat liver.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Butalamine is an oxadiazole and a ring assembly.
Suppliers
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Related reactions
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Compound notes
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