Basic information
- CAS
78-41-1- Standard SMILES
CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1- InChIKey
SYHDSBBKRLVLFF-UHFFFAOYSA-N- Molecular formula
- C27H32ClNO2
- Average molar mass
- 438 g/mol
- Monoisotopic mass
- 437.212157
Overview
Triparanol is a stilbenoid. It has a role as an anticoronaviral agent.
Names & identifiers
- Preferred name
- Triparanol
- IUPAC
- 2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methylphenyl)ethanol
- English name
- Triparanol
- Molecular formula
- C27H32ClNO2
- Molecular weight
- 438
Names & synonyms
TRIPARANOL78-41-1MetasqualeneMER 29triparanolumTriparanoloDTXSID60465072-p-Chlorophenyl-1-(p-(2-diethylaminoethoxy)phenyl)-1-p-tolylethanol63S8C3RXGSNSC-653451-(4-(2-(Diethylamino)ethoxy)phenyl)-1-(p-tolyl)-2-(p-chlorophenyl)ethanolBenzeneethanol, 4-chloro-alpha-(4-(2-(diethylamino)ethoxy)phenyl)-alpha-(4-methylphenyl)-
Show more names
MER 2pClotroxDiticylnsc65345DrenarenMetasquaAcosterinaMetasclene
DTXCID4026507alpha-(p-Chlorobenzyl)-4-diethylaminoethoxy-4'-methylbenzhydrol1-(p-(beta-Diethylaminoethoxy)phenyl)-1-(p-tolyl)-2-(p-chlorophenyl)ethanol2-(p-Chlorophenyl)-1-(p-(beta-diethylaminoethoxy)phenyl)-1-(p-tolyl)ethanol1-[4-[2-(Diethylamino)ethoxy]phenyl]-1-(p-tolyl)-2-(p-chlorophenyl)ethanol2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]-1-(p-tolyl)ethanolMER292-p-Chlorophenyl-1-[p-(2-diethylaminoethoxy)phenyl]-1-p-tolylethanol
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 489
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 102.9 · 102.9-103.7 °C
- Density
- 1.0173 · 1.0173 (rough estimate)
- refractive index
- 1.583 · 1.5830 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- 15 mg/mL · DMSO: 15 mg/mL
- Boiling point
- 235 · 235-240 °C(Press: 0.08 Torr)
- pka
- 13.44 · 13.44±0.29(Predicted)
- form
- solid
- color
- off-white
- InChI
- 1S/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3
- InChIKey
- SYHDSBBKRLVLFF-UHFFFAOYSA-N
- SMILES
- CCN(CC)CCOc1ccc(cc1)C(O)(Cc2ccc(Cl)cc2)c3ccc(C)cc3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- KK2400000
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338+P310
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
Applications
UsesDesmosterol Delta 24 (D24) reductase inhibitor
UsesTriparanol has been used to inhibit cholesterol biosynthesis in lipid rafts1. Triparanol has also been used as a 3β-hydroxysterol-Δ24-reductase inhibitor to study its effect on delayed-rectifier potassium current (Iks) channels2.
Upstream & downstream products
Upstream raw materials
Suppliers25 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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