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Substance Name: Oxyacanthine
RN: 548-40-3
UNII: 5BD0KNF4AT
InChIKey: KFOTVHQUFWAKNY-IHLOFXLRSA-N

Note

  • A putative calcium channel blocker.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C37-H40-N2-O6

Molecular Weight

  • 608.731
 
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Names and Synonyms

Name of Substance

  • Oxyacanthine

Synonyms

  • 6,6',7-Trimethoxy-2,2'-dimethyl-oxyacanthan-12'-ol
  • BRN 0078853
  • EINECS 208-946-8
  • N-Methylocoteamine
  • N-Methylsepeerine
  • NSC 93135
  • Oxyacanthan-12'-ol, 6,6',7'-trimethoxy-2,2'-dimethyl-
  • Oxyacanthine
  • Oxycanthine
  • UNII-5BD0KNF4AT
  • Vinetine

Systematic Names

  • Oxyacanthan-12'-ol, 6,6',7-trimethoxy-2,2'-dimethyl-
  • Oxyacanthine

Registry Numbers

CAS Registry Number

  • 548-40-3

FDA UNII

  • 5BD0KNF4AT

Other Registry Numbers

  • 28639-25-0
  • 62018-86-4

System Generated Number

  • 0000548403

Structure Descriptors

InChI

1S/C37H40N2O6/c1-38-13-11-24-18-33(42-3)34-20-27(24)29(38)16-23-7-10-31(40)32(17-23)45-26-8-5-22(6-9-26)15-30-36-25(12-14-39(30)2)19-35(43-4)37(41)28(36)21-44-34/h5-10,17-20,29-30,40-41H,11-16,21H2,1-4H3/t29-,30+/m1/s1

InChIKey

KFOTVHQUFWAKNY-IHLOFXLRSA-N

Smiles

c12c(c(cc3c2[C@@H]([N@@](C)CC3)Cc2ccc(Oc3c(O)ccc(c3)C[C@@H]3c4cc(OC1)c(cc4CC[N@@]3C)OC)cc2)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 24, Pg. 2413, 1976.
rat LDLo intraperitoneal 250mg/kg (250mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 17, 1953.