General Information of the Compound
| Compound ID |
CP0056359
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| Compound Name |
2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
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| Synonyms |
2-(2(Diethylamino)ethoxy)ethyl 1-phenyl-cyclopentanecarboxylate citrate (1:1)
2-(2-(Diethylamino)ethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate dihydrogen citrate
2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentanecarboxylate citrate
23142-01-0
4SH0MFJ5HJ
Carbetapentane
Carbetapentane (citrate)
Carbetapentane citrate
Carbetapentane citrate [NF]
Carbetapentane citrate salt
Carbetapentone citrate
EINECS 245-449-5
Ethanol, 2-(2-(die
Loucarbate
Pentoxiverine citrate
Pentoxyverine citrate
Toclase
Toclase citrate
UNII-4SH0MFJ5HJ
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| Structure |
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| Formula |
C20H31NO3
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| Molecular Weight |
333.472
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| Canonical SMILES |
CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
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| InChI |
InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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| InChIKey |
CFJMRBQWBDQYMK-UHFFFAOYSA-N
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| CAS |
77-23-6
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT03795, Solute carrier family 22 member 1
Clinical Information about the Compound