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Substance Name: 3-Benzofurancarboxylic acid, 2-(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, hydrochloride
RN: 141599-68-0
InChIKey: IPIHTLTYQBMPHM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H39-N-O5-S.Cl-H

Molecular Weight

  • 550.156
 
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Names and Synonyms

  • 3-Benzofurancarboxylic acid, 2-(((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)thio)methyl)-4-((dimethylamino)methyl)-5-hydroxy-, ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 141599-68-0

System Generated Number

  • 0141599680

Molecular Formulas

Molecular Formula

  • C29-H39-N-O5-S.Cl-H

Molecular Formula Fragments

  • C29-H39-N-O5-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H39NO5S.ClH/c1-10-34-27(33)25-23(35-22-12-11-21(31)18(24(22)25)15-30(8)9)16-36-17-13-19(28(2,3)4)26(32)20(14-17)29(5,6)7;/h11-14,31-32H,10,15-16H2,1-9H3;1H

InChIKey

IPIHTLTYQBMPHM-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(oc2c1c(c(cc2)O)CN(C)C)CSc3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo unreported 60mg/kg (60mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) Pharmaceutical Chemistry Journal Vol. 26, Pg. 68, 1992.