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Substance Name: 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-
RN: 87395-54-8
InChIKey: RCYQXSCEIUPTHM-ROKHWSDSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N-O5

Molecular Weight

  • 335.3975
 
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Names and Synonyms

Synonyms

  • (+)-2-alpha-Tropanyl 3,4,5-trimethoxybenzoate
  • Benzoic acid, 3,4,5-trimethoxy-, 1-alpha-H,5-alpha-H-tropan-2-alpha-yl ester, (+)-
  • BRN 5768515

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropan-2-alpha-ol, 3,4,5-trimethoxybenzoate (ester), (+)-

Registry Numbers

CAS Registry Number

  • 87395-54-8

System Generated Number

  • 0087395548

Structure Descriptors

InChI

1S/C18H25NO5/c1-19-12-5-7-13(19)14(8-6-12)24-18(20)11-9-15(21-2)17(23-4)16(10-11)22-3/h9-10,12-14H,5-8H2,1-4H3/t12?,13-,14?/m1/s1

InChIKey

RCYQXSCEIUPTHM-ROKHWSDSSA-N

Smiles

CN1[C@@H]2CCC1CCC2OC(=O)c3cc(c(c(c3)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   Journal of Medicinal Chemistry. Vol. 26, Pg. 1772, 1983.