General Information of the Compound
| Compound ID |
CP0072355
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| Compound Name |
(2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)acetic acid
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| Synonyms |
(2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)acetic acid
(2,3-Dichloro-4-(2-methylenebutyryl)phenoxy)acetic acid
(2,3-Dichloro-4-[2-methylenebutyryl]phenoxy)acetic acid
(4-(2-Methylenebutyryl)-2,3-dichlorophenoxy)acetic acid
2,3-Dichloro-4(2-methylene-butyryl)phenoxy] acetic acid
2,3-Dichloro-4-(2-methylenebutyl)phenoxyacetic acid
2,3-Dichloro-4-(2-methylenebutyryl)phenoxy acetic acid
2,3-Dichloro-4-(2-methylenebutyryl)phenoxyacetic acid
2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
Acide etacrynique
Acide etacrynique [INN-French]
Acido etacrinico
Acido etacrinico [INN-Spanish]
Acidum etacrynicum
Acidum etacrynicum [INN-Latin]
Crinuryl
E0526
Edecril
Edecrin (TN)
Edecrina
Endecril
Etacrinic acid
Etacrynic Acid
Etacrynic acid (JP15/INN)
Etakrinic acid
Ethacrinic acid
Ethacrinique (acide)
Ethacryinic Acid
Ethacrynate
Ethacrynic Acid, Sodium Salt
Ethacrynic acid
Ethacrynic acid (USP)
Ethacrynic acid [USAN:BAN]
Hidromedin
Hydromedin
Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova
Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova [Czech]
Kyselina ethakrynova
Kyselina ethakrynova [Czech]
MK 595
MK-595
Methylenebutyryl phenoxyacetic acid
Methylenebutyrylphenoxyacetic acid
Mingit
Otacril
Reomax
Taladren
Uregit
[2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetic acid
[2,3-Dichloro-4-(2-methylenebutyryl)phenoxy]acetic acid
[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid
[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
[4-(2-Methylenebutyryl)-2,3-dichlorophenoxy]acetic acid
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| Structure |
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| Formula |
C13H12Cl2O4
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| Molecular Weight |
303.141
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| Canonical SMILES |
CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl
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| InChI |
InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
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| InChIKey |
AVOLMBLBETYQHX-UHFFFAOYSA-N
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| CAS |
58-54-8
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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: PT03217, ATP-binding cassette sub-family C member 2
Protein ID: PT03222, ATP-binding cassette sub-family C member 3
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound