Basic information
- CAS
79944-58-4- Standard SMILES
c1ccc2c(c1)OCC(C1=NCCN1)O2- InChIKey
HPMRFMKYPGXPEP-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Overview
Idazoxan is a benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group. It has a role as an alpha-adrenergic antagonist. It is a member of imidazolines and a benzodioxine.
Names & identifiers
- Preferred name
- Idazoxan
- IUPAC
- 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
- English name
- Idazoxan
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
IDAZOXAN79944-58-4IdazoxanoIdazoxaneIdazoxanum2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazoleDl-idazoxanRacemic idazoxanDTXSID6045161Y310PA316BNSC-759867CHEBI:5862
Show more names
RX-781094IdezoxaneIDAZOXAN,99%1,4-Benzodioxin, 1H-iMidazole deriv.2-(2-Imidazoline-2-yl)-2,3-dihydro-1,4-benzodioxin2-(1-Imidazoline-2-yl)-2,3-dihydro-1,4-benzodioxin
DTXCID4025161RefChem:1476912-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazoleCHEMBL10316NCGC00015560-061H-Imidazole, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-Idazoxane [French]Idazoxanum [Latin]
Database identifiers
- CAS
79944-58-4- PubChem CID
- 54459
- DTXSID
DTXSID6045161- ChEMBL
CHEMBL10316- ChEBI
CHEBI:5862- UNII
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
Collision Cross Section148.26 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Boiling point
- 155 · 155-165 °C(Press: 0.1 Torr)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 9.51 · 9.51±0.40(Predicted)
- FDA UNII
- 310 PA316B · Y310PA316B
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that bind to and block the activation of ADRENERGIC ALPHA-2 RECEPTORS.
Applications
Usesalpha2-adrenergic blocker
Suppliers18 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Related reactions
2 records
Compound notes
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