Basic information
- CAS
79944-56-2- Standard SMILES
[Cl-].[H+].c1ccc2c(c1)OCC(C1=NCCN1)O2- InChIKey
MYUBYOVCLMEAOH-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O2
- Average molar mass
- 240.68 g/mol
- Monoisotopic mass
- 240.0665554
Overview
See also: Idazoxan Hydrochloride (preferred).
Names & identifiers
- Preferred name
- CID 657281
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydron;chloride
- English name
- Idazoxan hydrochloride
- Molecular formula
- C11H13ClN2O2
- Molecular weight
- 240.69
Names & synonyms
SCHEMBL4347344AKOS026749795RX 781094AIdazoxanHClIdazoxan hydrochloriIdazoxan hydrochloride(+/-)-Idazoxan MonohydrochlorideIdazoxan hydrochloride, 10 mM in DMSO2-(1,4-BENZODIOXAN-2-YL)-2-IMIDAZOLINE HYDROCHLORIDEIdazoxan hydrochloride, alpha2 Adrenoceptor antagonist and I2 ligandRX 781094, (±)-2-[1,4-Benzodioxan-2-yl]-2-imidazoline hydrochlorideIdazoxan hydrochloride,2-(1,4-Benzodioxan-2-yl)-2-imidazolinehydrochloride
Database identifiers
- CAS
79944-56-2- PubChem CID
- 657281
Properties
Computed structural properties
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 207 · 207-208°
- storage temp.
- Store at RT
- solubility
- 2 O: · H2O: 300 mg/mL
- form
- Powder
- color
- White to off-white
- Water Solubility
- 100 mM · Soluble to 100 mM in water
- Stability
- Hygroscopic
- InChI
- InChI=1S/C11H12N2O2.ClH/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11;/h1-4,10H,5-7H2,(H,12,13);1H
- InChIKey
- MYUBYOVCLMEAOH-UHFFFAOYSA-N
- SMILES
- C1(COC2C=CC=CC=2O1)C1=NCCN1.Cl
- FDA UNII
- 15394 QZS7A · 15394QZS7A
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
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
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 7
- Storage Class
- 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
UsesIdazoxan hydrochloride has been used to study the efficacy of antidepressant treatments that interact with multiple neurotransmitter systems.
UsesAn α-adrenoceptor antagonist; in rat brain Idazoxan is a pure antagonist and it has a selectivity for α2- over α1-receptors markedly superior to Piperoxane, Yohimbine, or Rauwolscine. Antiparkinsonian.
UsesAntiparkinsonian;Alpha2 agonist
Upstream & downstream products
Upstream raw materials
Suppliers48 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…