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Substance Name: Benzenepropanol, 4-hydroxy-alpha-(6-methoxy-3-(methylthio)-2-(2-(1-piperidinyl)ethoxy)phenyl)-
RN: 126406-37-9
InChIKey: NTDYHDMLMZCEKV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H33-N-O4-S

Molecular Weight

  • 431.5937
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 126406-37-9

System Generated Number

  • 0126406379

Structure Descriptors

InChI

1S/C24H33NO4S/c1-28-21-12-13-22(30-2)24(29-17-16-25-14-4-3-5-15-25)23(21)20(27)11-8-18-6-9-19(26)10-7-18/h6-7,9-10,12-13,20,26-27H,3-5,8,11,14-17H2,1-2H3

InChIKey

NTDYHDMLMZCEKV-UHFFFAOYSA-N

Smiles

COc1ccc(c(c1C(CCc2ccc(cc2)O)O)OCCN3CCCCC3)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22mg/kg (22mg/kg)   United States Patent Document. Vol. #5017572,