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Substance Name: Lycobetaine acetate
RN: 61221-41-8
InChIKey: HKIJKEFVQKXWGW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-N-O3.C2-H3-O2

Molecular Weight

  • 325.3185
 
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Names and Synonyms

Results Name

  • Lycobetaine acetate

Synonyms

  • 4,5-Dihydro-2-hydroxy-(1,3)dioxolo(4,5-j)pyrrolo(3,2,1-de)phenanthridinium acetate
  • AT-1840
  • Lycobetaine acetate
  • Oxylycorine
  • Ungeremine acetate
  • Ungerimine acetate

Systematic Name

  • (1,3)Dioxolo(4,5-j)pyrrolo(3,2,1-de)phenanthridinium, 4,5-dihydro-2-hydroxy-, acetate (salt)

Registry Numbers

CAS Registry Number

  • 61221-41-8

Related Registry Number

  • 2121-12-2 (Parent)

System Generated Number

  • 0061221418

Molecular Formulas

Molecular Formula

  • C16-H12-N-O3.C2-H3-O2

Molecular Formula Fragments

  • C16-H12-N-O3
  • C2-H3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C16H11NO3.C2H4O2/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17;1-2(3)4/h3-7H,1-2,8H2;1H3,(H,3,4)

InChIKey

HKIJKEFVQKXWGW-UHFFFAOYSA-N

Smiles

CC(=O)[O-].Oc1cc2CC[n+]3cc4cc5OCOc5cc4c(c1)c23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 72mg/kg (72mg/kg)   Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 2, Pg. 41, 1981.
mouse LD50 intravenous 90mg/kg (90mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 23, Pg. 453, 1988.