General Information of the Compound
| Compound ID |
CP0007317
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| Compound Name |
(+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol
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| Synonyms |
2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
2-[3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-methylphenol
2-{(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-methylphenol
Detrol (TN)
Detrusitol (TN)
Kabi-2234
Tolterodina
Tolterodine
Tolterodinum
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| Structure |
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| Formula |
C22H31NO
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| Molecular Weight |
325.496
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| Canonical SMILES |
CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
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| InChI |
InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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| InChIKey |
OOGJQPCLVADCPB-HXUWFJFHSA-N
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| CAS |
124937-51-5
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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: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT03002, Potassium voltage-gated channel subfamily D member 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Clinical Information about the Compound