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Substance Name: Benzenepropanoic acid, 2-((5-(dimethylamino)-5-oxopentyl)oxy)-6-((6-(4-methoxyphenyl)-5-hexenyl)oxy)-, (E)-
RN: 134578-91-9
InChIKey: MKMCLIAYMLENIN-IZZDOVSWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H39-N-O6

Molecular Weight

  • 497.6281
 
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Names and Synonyms

  • Benzenepropanoic acid, 2-((5-(dimethylamino)-5-oxopentyl)oxy)-6-((6-(4-methoxyphenyl)-5-hexenyl)oxy)-, (E)-

Registry Numbers

CAS Registry Number

  • 134578-91-9

System Generated Number

  • 0134578919

Structure Descriptors

InChI

1S/C29H39NO6/c1-30(2)28(31)14-7-9-22-36-27-13-10-12-26(25(27)19-20-29(32)33)35-21-8-5-4-6-11-23-15-17-24(34-3)18-16-23/h6,10-13,15-18H,4-5,7-9,14,19-22H2,1-3H3,(H,32,33)/b11-6+

InChIKey

MKMCLIAYMLENIN-IZZDOVSWSA-N

Smiles

CN(C)C(=O)CCCCOc1cccc(c1CCC(=O)O)OCCCC/C=C/c2ccc(cc2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 175mg/kg (175mg/kg)   United States Patent Document. Vol. #5457122,
mouse LD50 oral 3900mg/kg (3900mg/kg)   United States Patent Document. Vol. #5457122,