Products 136164-66-4

CAS 136164-66-4 appears in our catalog under these names: E3330, E3330/ 98.83% (existing batch purity), E3330 98%, (E)-2-((4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylene)undecanoic acid, 98%, 98%, Erenapurstat, 99.67%. Offered by: GLPBio, TargetMol, Ambeed, Sigma-Aldrich, Chemat. Available pack sizes: 10mg, 100mg, 10mM (in 1ml dmso), 5mg, 50mg, 1mg, 25mg, 200mg.

E3330
GLPBio, Sigma-Aldrich
  • size: 10mg, 100mg, 10mM (in 1ml dmso), 5mg
  • Variants: 6
from 831.06
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E3330/ 98.83% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 7
from 386.15
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E3330 98%
Ambeed
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 7
from 220.19
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(E)-2-((4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylene)undecanoic acid, 98%, 98%
Chemat
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 7
from 155.60
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Erenapurstat, 99.67%
MedChemExpress
  • size: 50 mg, 100 mg, 10 mg, 10mM/1mL
  • Variants: 5
from 695.86
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Structural formula: {0} (CAS {1})

(2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid (CAS 136164-66-4) is a chemical compound with the molecular formula C21H30O6 and a molecular weight of 378.5 g/mol. IUPAC name: (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid. InChIKey: AALSSIXXBDPENJ-FYWRMAATSA-N.

Identity
Molecular formulaC21H30O6
Molecular weight378.5 g/mol
IUPAC name(2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
InChIKeyAALSSIXXBDPENJ-FYWRMAATSA-N
SMILESCCCCCCCCC/C(=C\C1=C(C(=O)C(=C(C1=O)OC)OC)C)/C(=O)O

Computed by PubChem (NCBI)

Synonyms: (2E)-3-(5-(2,3-Dimethoxy-6-methyl-1,4-benzoquinoyl))-2-nonyl-2-propenoic acid, AALSSIXXBDPENJ-FYWRMAATSA-N, Erenapurstat, erenapurstat [INN], orb1300433, (E)-2-((4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylene)undeca, (E)-3-(5,6-Dimethoxy-3-methyl-14-dioxocyclohexa-25-dienyl)-2-nonylpropenoic Acid
Isomers (same molecular formula)
tributyl benzene-1,2,4-tricarboxylate C21H30O6
(8S,9R,10S,11R,13R,14R,17R)-9,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one C21H30O6
(6R,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
(8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
(1S,2S,5R,9S,11S,12S,13R)-5,6,11-trihydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one C21H30O6
(6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
(8R,9S,10R,11S,13S,14R,17R)-11,14,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one C21H30O6
(8S,9S,10R,11S,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde;hydrate C21H30O6
(1S,2S,5R,6R,9S,11S,12S,13R)-5,6,11-trihydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one C21H30O6
(6R,8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C21H30O6