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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 2-ethyldecahydro-5-isoquinolyl ester, hydrobromide
RN: 4512-87-2
InChIKey: TWYKENCDQWRERH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H31-N-O5.Br-H

Molecular Weight

  • 458.39
 
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Names and Synonyms

Synonyms

  • 5-(3,4,5-Trimethoxybenzoyloxy)-2-ethyl-decahydroisoquinoline hydrobromide
  • 5-Isoquinolinol, decahydro-2-ethyl-, 3,4,5-trimethoxybenzoate, hydrobromide
  • Decahydro-2-ethyl-5-hydroxyisoquinoline, 3,4,5-trimethoxybenzoate, hydrobromide

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 2-ethyldecahydro-5-isoquinolyl ester, hydrobromide

Registry Numbers

CAS Registry Number

  • 4512-87-2

System Generated Number

  • 0004512872

Molecular Formulas

Molecular Formula

  • C21-H31-N-O5.Br-H

Molecular Formula Fragments

  • Br-H
  • C21-H31-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C21H31NO5.BrH/c1-5-22-10-9-16-14(13-22)7-6-8-17(16)27-21(23)15-11-18(24-2)20(26-4)19(12-15)25-3;/h11-12,14,16-17H,5-10,13H2,1-4H3;1H

InChIKey

TWYKENCDQWRERH-UHFFFAOYSA-N

Smiles

C1[C@@H]2[C@@H](OC(c3cc(c(OC)c(c3)OC)OC)=O)CCC[C@@H]2C[N@@H+](CC)C1.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 79mg/kg (79mg/kg) CARDIAC: OTHER CHANGES Journal of Pharmacology and Experimental Therapeutics. Vol. 160, Pg. 22, 1968.