General Information of the Compound
| Compound ID |
CP0050362
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| Compound Name |
(1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid
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| Synonyms |
1,3,4,9-Tetrahydro-1,8-diethylpyrano(3,4-b)indole-1-acetic acid
1,8-Diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid
1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid
2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid
41340-25-4
AY 24236
AY-24,236
AY-24236
CCRIS 3923
CHEMBL622
Edolan
Etodolac
Etodolaco
Etodolaco [INN-Spanish]
Etodolacum
Etodolacum [INN-Latin]
Etodolic acid
Lodine
Lodine XL
NSC 282126
Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1
Ramodar
Ultradol
etodolac
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| Structure |
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| Formula |
C17H21NO3
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| Molecular Weight |
287.359
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| Canonical SMILES |
CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12
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| InChI |
InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
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| InChIKey |
NNYBQONXHNTVIJ-UHFFFAOYSA-N
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| CAS |
41340-25-4
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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: PT00901, Prostaglandin G/H synthase 2
Protein ID: PT04064, Solute carrier family 22 member 6
Protein ID: PT06061, Solute carrier family 22 member 6
Clinical Information about the Compound