Basic information
- CAS
395-28-8- Standard SMILES
CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1- InChIKey
BMUKKTUHUDJSNZ-UHFFFAOYSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Overview
4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol is an alkylbenzene.
Names & identifiers
- Preferred name
- 4-[1-Hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
- IUPAC
- 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
- English name
- isoxsuprine
- Molecular formula
- C18H23NO3
- Molecular weight
- 301.39
Names & synonyms
VasodilianIsoxuprine4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenolVasosurpine1-(p-hydroxyphenyl)-1-propanol4-{1-hydroxy-2-[(1-phenoxypropan-2-yl)amino]propyl}phenolBenzenemethanol, 4-hydroxy-.alpha.-[1-[(1-methyl-2-phenoxyethyl)amino]ethyl]-p-Hydroxy-N-(1-methyl-2-phenoxyethyl)norephedrineIsoxsuprine (INN)Benzyl alcohol, p-hydroxy-.alpha.-(1-((1-methyl-2-phenoxyethyl)amino)ethyl)-2-(3-Phenoxy-2-propylamino)-1-(p-hydroxyphenyl)-1-propanol1-(4-Hydroxyphenyl)-2-(1-methyl-2-phenoxyethylamino)propanol
Show more names
lsoxsuprineisoxysuprineIsoxsuprine Free BaseIsoxsuprine (Mixture of Diastereomers)Isoxsuprine (base and/or unspecified salts)4-[1-hydroxy-2-[1-(phenoxy)propan-2-ylamino]propyl]phenol4-[1-hydroxy-2-[[1-methyl-2-(phenoxy)ethyl]amino]propyl]phenol1-(4-Hydroxyphenyl)-2-(1-methyl-2-phenoxyethylamino)-1-propanol
1-(p-Hydroxyphenyl)-2-(1-methyl-2-phenoxyethylamino)-1-propanolDilator (TN)Duvadilan (Salt/Mix)Vasodilan (Salt/Mix)Prestwick0_000068Prestwick1_000068Prestwick2_000068Prestwick3_000068
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Collision Cross Section
175.1 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
172.94 Ų [M+H]+
Physicochemical properties
- Melting point
- 102.5 · 102.5-103.5°
- Boiling point
- 442.51 °C · 442.51°C (rough estimate)
- Density
- 1.1412 · 1.1412 (rough estimate)
- refractive index
- 1.574 · 1.5740 (estimate)
- pka
- 9.96 · 9.96±0.26(Predicted)
- FDA UNII
- 15 UI3245N · R15UI3245N
- EPA Substance Registry System
- Isoxsuprine (395-28-8)
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesVasodilator.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers9 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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