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Substance Name: Carmicheline
RN: 39089-30-0
InChIKey: HKQZUYOVMYOFIT-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C22-H35-N-O4

Molecular Weight

  • 377.522
 
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Names and Synonyms

Results Name

  • Carmicheline

Synonyms

  • 20-Ethyl-16-beta-methoxy-4-methylaconitane-1-alpha,8,14-alpha-triol
  • Carmichaeline
  • Carmicheline
  • Karacoline
  • Karakoline

Systematic Name

  • Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 39089-30-0

System Generated Number

  • 0039089300

Structure Descriptors

InChI

1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3

InChIKey

HKQZUYOVMYOFIT-UHFFFAOYSA-N

Smiles

C[C@@]12[C@@H]3[C@@]4([C@@H](CC1)O)[C@@H]([C@@H]([C@@]1(C[C@@H](OC)[C@@H]5[C@@H]([C@@H]1[C@@H]4C5)O)O)C3)[N@@](CC)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 298mg/kg (298mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
mouse LD50 intravenous 51500ug/kg (51.5mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.