Basic information
- CAS
173324-94-2- Standard SMILES
CCN(CC)CC#CC(C)(C)OC(=O)C(O)(c1ccccc1)C1CCCCC1- InChIKey
DMEPDNFRHUGNPT-UHFFFAOYSA-N- Molecular formula
- C24H35NO3
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.26169398
Overview
RN (129927-33-4) & structure given in first source
Names & identifiers
- Preferred name
- Temiverine
- IUPAC
- [5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
- English name
- temiverine
- Molecular formula
- C24H35NO3
- Molecular weight
- 385.54
Names & synonyms
Temiverine173324-94-2temiverinaA6H0R92B1BDTXSID40439894-diethylamino-1,1-dimethylbut-2-yn-1-yl-2-cyclohexyl-2-hydroxy-2-phenylacetate monohydrochloride monohydratetemiverinumRefChem:187798DTXCID2023989Temiverine [INN]UNII-A6H0R92B1B[5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate
Show more names
Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butyn-1-yl ester
TEMIVERINE [WHO-DD]SCHEMBL120687NS21CHEMBL2107463DMEPDNFRHUGNPT-UHFFFAOYSA-NL001465Q272736914-diethylamino-1,1-dimethyl-2-butynyl alpha-cyclohexyl-alpha-phenylglycolate
Database identifiers
- CAS
173324-94-2- PubChem CID
- 148166
- DTXSID
DTXSID4043989- ChEMBL
CHEMBL2107463- UNII
- A6H0R92B1B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Physicochemical properties
- FDA UNII
- 6 H0R92B1B · A6H0R92B1B
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Drugs that bind to but do not activate CHOLINERGIC RECEPTORS, thereby blocking the actions of ACETYLCHOLINE or cholinergic agonists.
Suppliers1 total
LGM Pharma1-(800)-881-8210 · [email protected]
Related reactions
2 records
Compound notes
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