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Substance Name: Adlumidine
RN: 550-49-2
UNII: XM638185BP
InChIKey: IYGYMKDQCDOMRE-ROUUACIJSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C20-H17-N-O6

Molecular Weight

  • 367.3553
 
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Names and Synonyms

Name of Substance

  • Adlumidine

Synonyms

  • Adlumidine
  • d-Adlumidine
  • UNII-XM638185BP

Systematic Name

  • Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3- dioxolo(4,5-g)isoquinolin-5-yl-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 550-49-2

FDA UNII

  • XM638185BP

System Generated Number

  • 0000550492

Structure Descriptors

InChI

1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18-/m0/s1

InChIKey

IYGYMKDQCDOMRE-ROUUACIJSA-N

Smiles

CN1CCc2cc3c(cc2[C@H]1[C@@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37mg/kg (37mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 5, Pg. 163, 1946.