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Substance Name: Benzenepropanoic acid, 2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)-6-(4-(2-oxo-1-pyrrolidinyl)butoxy)-, (E)-
RN: 134578-92-0
InChIKey: SWVNJRFOYNPFFX-ONNFQVAWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H39-N-O6

Molecular Weight

  • 509.6391
 
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Names and Synonyms

  • Benzenepropanoic acid, 2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)-6-(4-(2-oxo-1-pyrrolidinyl)butoxy)-, (E)-

Registry Numbers

CAS Registry Number

  • 134578-92-0

System Generated Number

  • 0134578920

Structure Descriptors

InChI

1S/C30H39NO6/c1-35-25-16-14-24(15-17-25)10-4-2-3-6-22-36-27-11-8-12-28(26(27)18-19-30(33)34)37-23-7-5-20-31-21-9-13-29(31)32/h4,8,10-12,14-17H,2-3,5-7,9,13,18-23H2,1H3,(H,33,34)/b10-4+

InChIKey

SWVNJRFOYNPFFX-ONNFQVAWSA-N

Smiles

COc1ccc(cc1)/C=C/CCCCOc2cccc(c2CCC(=O)O)OCCCCN3CCCC3=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 260mg/kg (260mg/kg)   United States Patent Document. Vol. #5457122,
mouse LD50 oral 2200mg/kg (2200mg/kg)   United States Patent Document. Vol. #5457122,