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Substance Name: Benzoic acid, 3,4-dimethoxy-, 4-(propyl(1,2,3,4-tetrahydro-6-methoxy-2-naphthalenyl)amino)butyl ester, hydrochloride
RN: 69788-42-7
InChIKey: SDWHFWOBCIITOQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H37-N-O5.Cl-H

Molecular Weight

  • 492.0522
 
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Names and Synonyms

Synonym

  • 4-(Propyl(1,2,3,4-tetrahydro-6-methoxy-2-naphthalenyl)amino)butyl 3,4-dimethoxybenzoate HCl

Systematic Name

  • Benzoic acid, 3,4-dimethoxy-, 4-(propyl(1,2,3,4-tetrahydro-6-methoxy-2-naphthalenyl)amino)butyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 69788-42-7

System Generated Number

  • 0069788427

Molecular Formulas

Molecular Formula

  • C27-H37-N-O5.Cl-H

Molecular Formula Fragments

  • C27-H37-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H37NO5.ClH/c1-5-14-28(23-11-8-21-18-24(30-2)12-9-20(21)17-23)15-6-7-16-33-27(29)22-10-13-25(31-3)26(19-22)32-4;/h9-10,12-13,18-19,23H,5-8,11,14-17H2,1-4H3;1H

InChIKey

SDWHFWOBCIITOQ-UHFFFAOYSA-N

Smiles

CCCN(CCCCOC(=O)c1ccc(c(c1)OC)OC)C2CCc3cc(ccc3C2)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 22300ug/kg (22.3mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2821584,
rat LD50 oral 707mg/kg (707mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2821584,