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Substance Name: N-Deacetyllappaconitine
RN: 11033-64-0
InChIKey: VSUODASNSRJNCP-WGVBKJPXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H42-N2-O7

Molecular Weight

  • 542.669
 
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Names and Synonyms

Name of Substance

  • N-Deacetyllappaconitine

Synonyms

  • 4-Anthraniloyllappaconine
  • Lappaconine, 4-(2-aminobenzoate)
  • N-Deacetyllappaconitine
  • Puberanidine

Systematic Name

  • Lappaconitine, deacetyl-

Registry Numbers

CAS Registry Number

  • 11033-64-0

System Generated Number

  • 0011033640

Structure Descriptors

InChI

1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18?,20+,21-,22+,23+,24?,25+,27-,28+,29?,30+/m1/s1

InChIKey

VSUODASNSRJNCP-WGVBKJPXSA-N

Smiles

O[C@]12[C@@H]3[C@@]45[C@@H]6C[C@@H]([C@@]1(O)C[C@H](OC)[C@@H](C3)[C@@H]2OC)[C@@H]5[N@@](CC)C[C@@]6(CC[C@@H]4OC)OC(c1c(cccc1)N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 23500ug/kg (23.5mg/kg)   Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 8, Pg. 301, 1987.
rat LD50 intraperitoneal 29900ug/kg (29.9mg/kg)   Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 8, Pg. 301, 1987.