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Substance Name: Lappaconitine
RN: 32854-75-4
UNII: Y4M5974F7Z
InChIKey: NWBWCXBPKTTZNQ-QOQRDJBUSA-N

Molecular Formula

  • C32-H44-N2-O8

Molecular Weight

  • 584.7056
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Arrhythmia Agents
  • Cardiovascular Agents
  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Natural Product
  • Peripheral Nervous System Agents
  • Psychotropic Drugs
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Lappaconitine

Synonyms

  • (+)-Lappaconitine
  • 5-21-06-00291 (Beilstein Handbook Reference)
  • Acetyl-10-deoxysepaconitine
  • BRN 0072755
  • UNII-Y4M5974F7Z

Systematic Name

  • Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-acetylamino)benzoate), (1-alpha,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 32854-75-4

FDA UNII

  • Y4M5974F7Z

System Generated Number

  • 0032854754

Structure Descriptors

InChI

1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31+,32+/m1/s1

InChIKey

NWBWCXBPKTTZNQ-QOQRDJBUSA-N

Smiles

CCN1C[C@@]2(CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]5(O)C[C@H](OC)[C@H]6C[C@@H]4[C@]5(O)[C@H]6OC)OC(=O)c7ccccc7NC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10500ug/kg (10.5mg/kg)   Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 8, Pg. 301, 1987.
mouse LD50 intravenous 6900ug/kg (6.9mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 7, Pg. 337, 1951.
mouse LD50 oral 20mg/kg (20mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 7, Pg. 337, 1951.
rat LD50 intraperitoneal 9900ug/kg (9.9mg/kg)   Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 8, Pg. 301, 1987.