Basic information
- CAS
3215-70-1- Standard SMILES
Oc1ccc(C(O)CNCCCCCCNCC(O)c2ccc(O)c(O)c2)cc1O- InChIKey
OXLZNBCNGJWPRV-UHFFFAOYSA-N- Molecular formula
- C22H32N2O6
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.22603674
Overview
Hexoprenaline is a stimulant of beta 2 adrenergic receptors. It is used as a bronchodilator, antiasthmatic, and tocolytic agent.
Names & identifiers
- Preferred name
- Hexoprenaline
- IUPAC
- 4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diol
- English name
- HEXOPRENALINE SULPHATE
- Molecular formula
- C22H34N2O10S
- Molecular weight
- 518.58
Names & synonyms
HEXOPRENALINE3215-70-1IpradolEsoprenalinaHexoprenalinumSt-1512hexoprenalinaSt1512G9L6B3W6841,2-Benzenediol, 4,4'-(1,6-hexanediylbis(imino(1-hydroxy-2,1-ethanediyl)))bis-DTXSID7048322RefChem:146315
Show more names
HEXOPRENALINE SULFATEByk 1512HyssonarinHEXOPRENALINE SULPHATEHexoprenaline (10mM in DMSO)HEXOPRENALINE SULPHATE USP/EP/BPN,N'-Bis[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]hexamethylenediamine
DTXCID5028297R03AC06R03CC05St 15124-(2-((6-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)hexyl)amino)-1-hydroxyethyl)benzene-1,2-diolHexoprenaline (INN)4-[2-[6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]hexylamino]-1-hydroxyethyl]benzene-1,2-diolHEXOPRENALINE [INN]
Database identifiers
- CAS
3215-70-1- PubChem CID
- 3609
- DTXSID
DTXSID7048322- ChEMBL
CHEMBL1589896- UNII
- G9L6B3W684
- Nikkaji
- J7.693G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 417
Experimental & physicochemical properties
Melting Point222-228
Physicochemical properties
- Melting point
- 162 · 162-165° (hemihydrate)
- storage temp.
- Refrigerator
- solubility
- Aqueous Base (Slightly), DMSO (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 9 L6B3W684 · G9L6B3W684
- ATC code
- 3 AC06,R03CC05 · R03AC06,R03CC05
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
R - Respiratory system
QR - Respiratory system
QR - Respiratory system
MeSH Pharmacological Classification
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Drugs that prevent preterm labor and immature birth by suppressing uterine contractions (TOCOLYSIS). Agents used to delay premature uterine activity include magnesium sulfate, beta-mimetics, oxytocin antagonists, calcium channel inhibitors, and adrenergic beta-receptor agonists. The use of intravenous alcohol as a tocolytic is now obsolete.
Compounds bind to and activate ADRENERGIC BETA-2 RECEPTORS.
Applications
UsesHexoprenaline acts as a β2-adrenoreceptor agonist/betamimetic and a vasoactive agent.
Upstream & downstream products
Upstream raw materials
Suppliers12 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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