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Substance Name: Benzenepropanol, 4-hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)-
RN: 126406-27-7
InChIKey: BBVXMSPOVZDDOT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H47-N-O5

Molecular Weight

  • 513.7143
 
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Names and Synonyms

Synonym

  • 4-Hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)benzenepropanol

Systematic Name

  • Benzenepropanol, 4-hydroxy-alpha-(3-methoxy-6-(octyloxy)-2-(2-(1-piperidinyl)ethoxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 126406-27-7

System Generated Number

  • 0126406277

Structure Descriptors

InChI

1S/C31H47NO5/c1-3-4-5-6-7-11-23-36-28-18-19-29(35-2)31(37-24-22-32-20-9-8-10-21-32)30(28)27(34)17-14-25-12-15-26(33)16-13-25/h12-13,15-16,18-19,27,33-34H,3-11,14,17,20-24H2,1-2H3

InChIKey

BBVXMSPOVZDDOT-UHFFFAOYSA-N

Smiles

CCCCCCCCOc1ccc(c(c1C(CCc2ccc(cc2)O)O)OCCN3CCCCC3)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27500ug/kg (27.5mg/kg)   United States Patent Document. Vol. #5017572,