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Substance Name: Pseudoaconine
RN: 38146-89-3
InChIKey: WZGCQIYOKDLWMF-MNDTZMJDSA-N

Molecular Formula

  • C25-H41-N-O8

Molecular Weight

  • 483.5979
 
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Names and Synonyms

Results Name

  • Pseudoaconine

Synonyms

  • 4-21-00-02888 (Beilstein Handbook Reference)
  • BRN 0057849
  • Deoxyaconine
  • Pseudaconine
  • Pseudoaconine

Systematic Name

  • Aconitane-3,8,13,14-tetrol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-

Registry Numbers

CAS Registry Number

  • 38146-89-3

System Generated Number

  • 0038146893

Structure Descriptors

InChI

1S/C25H41NO8/c1-6-26-10-22(11-31-2)13(27)7-14(32-3)25-12-8-23(29)15(33-4)9-24(30,16(12)21(23)28)17(20(25)26)18(34-5)19(22)25/h12-21,27-30H,6-11H2,1-5H3/t12?,13?,14?,15-,16+,17?,18?,19+,20?,21?,22?,23-,24+,25?/m0/s1

InChIKey

WZGCQIYOKDLWMF-MNDTZMJDSA-N

Smiles

CCN1CC2([C@H]3C(C4C1C3(C(CC2O)OC)C5C[C@@]6([C@H](C[C@]4([C@H]5C6O)O)OC)O)OC)COC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1700mg/kg (1700mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 180, 1984.
mouse LD50 intravenous 141mg/kg (141mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 19, Pg. 641, 1984.
rat LDLo intravenous 382mg/kg (382mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 19, Pg. 641, 1984.