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Substance Name: 2,4-Pentadienoic acid, 5-(4-hydroxy-3-methoxyphenyl)-, 3-methyl-2-butenyl ester
RN: 144055-32-3
InChIKey: YTWZKVCMXGOQQQ-YDFGWWAZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-O4

Molecular Weight

  • 288.341
 
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Names and Synonyms

Synonym

  • 3-Methyl-2-butenyl 5-(4-hydroxy-3-methoxyphenyl)-2,4-pentadienoate

Systematic Name

  • 2,4-Pentadienoic acid, 5-(4-hydroxy-3-methoxyphenyl)-, 3-methyl-2-butenyl ester

Registry Numbers

CAS Registry Number

  • 144055-32-3

System Generated Number

  • 0144055323

Structure Descriptors

InChI

1S/C17H20O4/c1-13(2)10-11-21-17(19)7-5-4-6-14-8-9-15(18)16(12-14)20-3/h4-10,12,18H,11H2,1-3H3/b6-4+,7-5+

InChIKey

YTWZKVCMXGOQQQ-YDFGWWAZSA-N

Smiles

CC(=CCOC(=O)/C=C/C=C/c1ccc(c(c1)OC)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-202133,