Basic information
- CAS
79700-61-1- Standard SMILES
CC#CC1(OCC(COCC(C)C)N2CCCC2)CCCCC1- InChIKey
FITWYAUFKJXWPL-UHFFFAOYSA-N- Molecular formula
- C20H35NO2
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.26677936
Names & identifiers
- Preferred name
- 1-(1-((2-Methylpropoxy)methyl)-2-((1-(1-propynyl)cyclohexyl)oxy)ethyl)pyrrolidine
- IUPAC
- 1-[1-(2-methylpropoxy)-3-(1-prop-1-ynylcyclohexyl)oxypropan-2-yl]pyrrolidine
- English name
- Dopropidil
- Molecular formula
- C20H35NO2
- Molecular weight
- 321.501
Names & synonyms
1-(1-((2-Methylpropoxy)methyl)-2-((1-(1-propynyl)cyclohexyl)oxy)ethyl)pyrrolidineRefChem:135654Dopropidil79700-61-1Dopropidil [INN]1-[1-(2-methylpropoxy)-3-(1-prop-1-ynylcyclohexyl)oxypropan-2-yl]pyrrolidineQ9XQ7N7ZRDPyrrolidine,1-[1-[(2-methylpropoxy)methyl]-2-[[1-(1-propyn-1-yl)cyclohexyl]oxy]ethyl]-1-(1-(Isobutoxymethyl)-2-((1-(1-propynyl)cyclohexyl)oxy)ethyl)pyrrolidineDopropidilum1-(1-Isobutoxy-3-(1-(prop-1-ynyl)cyclohexyloxy)propan-2-yl)pyrrolidineDopropidilum [INN-Latin]
Show more names
4205CERMPyrrolidine, 1-[1-[(2-methylpropoxy)methyl]-2-[[1-(1-propyn-1-yl)cyclohexyl]oxy]ethyl]-
1-(1-Isobutoxy-3-((1-(prop-1-yn-1-yl)cyclohexyl)oxy)propan-2-yl)pyrrolidineUNII-Q9XQ7N7ZRD1-[1-(2-methylpropoxy)-3-{[1-(prop-1-yn-1-yl)cyclohexyl]oxy}propan-2-yl]pyrrolidine1-(1-(1-Propynyl)cyclohexyloxy)-2-(N-pyrrolidinyl)-3-isobutoxypropaneSCHEMBL678148orb1709843CHEMBL2104310DTXSID30868539
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 9 XQ7N7ZRD · Q9XQ7N7ZRD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDopropidil is a novel anti-anginal calcium ion modulating agent, possessing intracellular calcium antagonist activity and anti-ischemic effects in several predictive animal models.
Upstream & downstream products
Upstream raw materials
Suppliers9 total
MedChemexpress LLC021-58955995 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
BOC Sciences[email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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