Basic information
- CAS
129927-37-3- Standard SMILES
CCNCC#CC(C)(C)OC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl- InChIKey
AEPBOUHKRSABGU-UHFFFAOYSA-N- Molecular formula
- C22H32ClNO3
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.2070716
Overview
structure given in first source
Names & identifiers
- Preferred name
- Rcc-36
- IUPAC
- [5-(ethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
Names & synonyms
Rcc 36129927-37-3rcc-360FUM3H8670RCC36RefChem:178687Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(ethylamino)-1,1-dimethyl-2-butyn-1-yl ester, hydrochloride (1:1)Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(ethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride(+-)-4-Ethylamino-1,1-dimethylbut-2-yn-1-yl2-cyclohexyl-2-hydroxy-2-phenylacetate monohydrochloride[5-(ethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride(+/-)-4-ethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate monohydrochlorideCCRIS 8003
Show more names
UNII-0FUM3H8670orb1738451SCHEMBL9878043DTXSID50926529Q27236721(+/-)-4-ETHYLAMINO-1,1-DIMETHYLBUT-2-YN-1-YL2-CYCLOHEXYL-2-HYDROXY-2-PHENYLACETATE MONOHYDROCHLORIDE4-ethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate monohydrochloride5-(Ethylamino)-2-methylpent-3-yn-2-yl cyclohexyl(hydroxy)(phenyl)acetate--hydrogen chloride (1/1)
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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