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Substance Name: Pyrocatechol, 4-(2-(3-(m-hydroxyphenyl)-3-propylpyrrolidinyl)ethyl)-
RN: 47420-10-0
InChIKey: PXJXZGPSWYCCHA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O3

Molecular Weight

  • 341.448
 
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Names and Synonyms

Synonyms

  • 4-(2-(3-(m-Hydroxyphenyl)-3-propylpyrrolidinyl)ethyl)pyrocatechol
  • BRN 1499854

Systematic Name

  • Pyrocatechol, 4-(2-(3-(m-hydroxyphenyl)-3-propylpyrrolidinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 47420-10-0

System Generated Number

  • 0047420100

Structure Descriptors

InChI

1S/C21H27NO3/c1-2-9-21(17-4-3-5-18(23)14-17)10-12-22(15-21)11-8-16-6-7-19(24)20(25)13-16/h3-7,13-14,23-25H,2,8-12,15H2,1H3

InChIKey

PXJXZGPSWYCCHA-UHFFFAOYSA-N

Smiles

c1(c(cc(cc1)CC[N@@]1C[C@@](CC1)(CCC)c1cc(ccc1)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 1190mg/kg (1190mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 794, 1970.