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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, decahydro-2-methyl-5-isoquinolyl ester, trans-
RN: 18429-83-9
InChIKey: ITPBBIALPUKKHC-JFXOEICMSA-N

Molecular Formula

  • C20-H29-N-O5

Molecular Weight

  • 363.451
 
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Names and Synonyms

Synonyms

  • 5-Isoquinolinol, decahydro-2-methyl-, 3,4,5-trimethoxybenzoate
  • trans-3,4,5-Trimethoxybenzoic acid decahydro-2-methyl-5-isoquinolyl ester
  • trans-9,10-t-5-H-5-(3,4,5-Trimethoxybenzoyloxy)-2-methyldecahydroisoquinoline

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, decahydro-2-methyl-5-isoquinolyl ester, trans-

Registry Numbers

CAS Registry Number

  • 18429-83-9

Other Registry Number

  • 18429-99-7

System Generated Number

  • 0018429839

Structure Descriptors

InChI

1S/C20H29NO5/c1-21-9-8-15-13(12-21)6-5-7-16(15)26-20(22)14-10-17(23-2)19(25-4)18(11-14)24-3/h10-11,13,15-16H,5-9,12H2,1-4H3/t13-,15-,16?/m0/s1

InChIKey

ITPBBIALPUKKHC-JFXOEICMSA-N

Smiles

C1[C@@H]2[C@@H](OC(c3cc(c(OC)c(c3)OC)OC)=O)CCC[C@H]2C[N@@](C)C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 76mg/kg (76mg/kg) CARDIAC: OTHER CHANGES Journal of Medicinal Chemistry. Vol. 11, Pg. 997, 1968.