Basic information
- CAS
1054-88-2- Standard SMILES
O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccccc3O1)CC2- InChIKey
JVGBTTIJPBFLTE-UHFFFAOYSA-N- Molecular formula
- C22H25N3O3
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.18959167
Overview
8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is a member of imidazolidines.
Names & identifiers
- Preferred name
- Spiroxatrine
- IUPAC
- 8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- English name
- SPIROXATRINE
- Molecular formula
- C22H25N3O3
- Molecular weight
- 379.45
Names & synonyms
Spiroxatrine1054-88-2EspiroxatrinaSpiroxatrinumR 5188DTXSID3045198SPIROXAMIDEDR0QR50ALLNSC-665322R-5188DTXCID10251988-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Show more names
SPIROXATRINE (R 5188) SELECTIVE SEROTONI N 58-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one1,3,8-Triazaspiro[4.5]decan-4-one, 8-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-8-((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one(+/-)-8-[(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)METHYL]-1-PHENYL-1,3,8-TRIAZA-SPIRO[4,5]DECAN-4-ONER 5188, (±)-8-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-1,3,8-triaza-spiro[4,5]decan-4-one
8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-oneRefChem:184962Spiroxatrine (R 5188)Spiroxatrine [INN]8-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one8-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneCHEMBL300555NSC665322
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- Melting point
- 215.8 · 215.8-218.0 °C
- Boiling point
- 602.8 · 602.8±55.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- 0.1 M · 0.1 M HCl: moderately soluble
- form
- powder
- pka
- 15.03 · 15.03±0.20(Predicted)
- color
- white
- FDA UNII
- 0 QR50ALL · DR0QR50ALL
- WGK Germany
- 3 · 3
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
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.
Applications
UsesSpiroxatrine (R 5188) is a SR-1A antagonist.
Suppliers16 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd
Related reactions
0 records
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Compound notes
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