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Substance Name: Hypaconitine
RN: 6900-87-4
UNII: 5207313N6E
InChIKey: FIDOCHXHMJHKRW-FBYRGYIKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H45-N-O10

Molecular Weight

  • 615.7155
 
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Names and Synonyms

Name of Substance

  • Hypaconitine

Synonyms

  • Hypaconitine
  • UNII-5207313N6E

Systematic Name

  • Aconitane-8,13,14,15-tetraol, 16,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate benzoate, (1-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 6900-87-4

FDA UNII

  • 5207313N6E

Related Registry Number

  • 71402-59-0 (hydrobromide)

System Generated Number

  • 0006900874

Structure Descriptors

InChI

1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1

InChIKey

FIDOCHXHMJHKRW-FBYRGYIKSA-N

Smiles

COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@@](OC(=O)C)([C@H]5[C@H]6OC(=O)c7ccccc7)[C@@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1010ug/kg (1.01mg/kg)   Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 2, Pg. 170, 1981.
mouse LD50 intravenous 470ug/kg (0.47mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
mouse LD50 oral 5800ug/kg (5.8mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
mouse LD50 subcutaneous 1900ug/kg (1.9mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA
Journal of Ethnopharmacology. Vol. 35, Pg. 159, 1991.