General Information of the Compound
| Compound ID |
CP0040455
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| Compound Name |
(Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one
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| Synonyms |
10H-Benzo[4,5]cyclohepta[1,2-b]thiophen-10-one, 4,9-dihydro-4-(1-methyl-4-piperidinylidene)-, (2E)-2-butenedioate (1:1)
4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one
4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo(4,5)-cyclohepta(1,2-b)thiophen-10-one
4-(1-Methyl-4-piperidylidene)-9-hydrobenzo[a]thiopheno[3,2-d][7]annulen-10-one
4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one
4-(1-methylpiperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one
Alaway (TN)
HC 20-511
Ketotifen
Ketotifen (INN)
Ketotifen [INN:BAN]
Ketotifene
Ketotifene [INN-French]
Ketotifene fumarate
Ketotifeno
Ketotifeno [INN-Spanish]
Ketotifenum
Ketotifenum [INN-Latin]
Ketotifin
Ketotiphen
Ketotiphene
Zaditor
Zaditor (TN)
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| Structure |
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| Formula |
C19H19NOS
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| Molecular Weight |
309.434
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| Canonical SMILES |
CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
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| InChI |
InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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| InChIKey |
ZCVMWBYGMWKGHF-UHFFFAOYSA-N
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| CAS |
34580-13-7
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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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor
Clinical Information about the Compound