Basic information
- CAS
59-39-2- Standard SMILES
c1ccc2c(c1)OCC(CN1CCCCC1)O2- InChIKey
LYKMMUBOEFYJQG-UHFFFAOYSA-N- Molecular formula
- C14H19NO2
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.14157885
Overview
A benzodioxane alpha-adrenergic blocking agent with considerable stimulatory action. It has been used to diagnose PHEOCHROMOCYTOMA and as an antihypertensive agent.
Names & identifiers
- Preferred name
- Piperoxan
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
- English name
- Piperoxan
- Molecular formula
- C14H19NO2
- Molecular weight
- 233.31
Names & synonyms
Piperoxan59-39-2PiperoxaneBenodainePiperoxano933FFourneau-933Piperoxanum(rs)-piperoxaneDTXSID1046269Piperidine, 1-(1,4-benzodioxan-2-ylmethyl)-9ZCS27634Y
Show more names
1-(1,4-Benzodioxan-2-ylmethyl)piperidine1-((2,3-Dihydrobenzo[B][1,4]Dioxin-2-Yl)Methyl)Piperidine
F-933Piperidine, 1-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-DTXCID9026269RefChem:174466Fourneau 933Piperidine,1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine2-Piperidinomethyl-1,4-benzodioxan
Database identifiers
- CAS
59-39-2- PubChem CID
- 6040
- DTXSID
DTXSID1046269- ChEMBL
CHEMBL31836- UNII
- 9ZCS27634Y
- Nikkaji
- J4.600K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 331 · 331 ºC
- Density
- 1.113 · 1.113
- Flash point
- 118 · 118 ºC
- FDA UNII
- 9 ZCS27634Y · 9ZCS27634Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 175mg/kg
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
- Toxicity
- LD50 intraperitoneal in mouse: 175mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Upstream & downstream products
Upstream raw materials
Suppliers8 total
广州致雅医药科技有限公司18122150900 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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