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Substance Name: Coldephnine
RN: 7633-69-4
InChIKey: ZEBMMHUDQRRILP-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C25-H39-N-O6

Molecular Weight

  • 449.584
 
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Names and Synonyms

Results Name

  • Coldephnine

Synonyms

  • Coldephnine
  • Condelphine
  • EINECS 231-562-7
  • Kondelfin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 7633-69-4

System Generated Number

  • 0007633694

Structure Descriptors

InChI

1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3

InChIKey

ZEBMMHUDQRRILP-UHFFFAOYSA-N

Smiles

C1[C@@H]2[C@@H]3[C@@]4([C@@H](O)CC[C@@](C[N@@]3CC)(COC)[C@@H]14)[C@@H]1C[C@@H]3[C@@H](C[C@@]2(O)[C@@H]1[C@@H]3OC(=O)C)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 73mg/kg (73mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 180, 1984.