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Substance Name: Heteratisine
RN: 3328-84-5
InChIKey: YPSAOPXJHSESSR-REBRADLHSA-N

Note

  • An aconitum alkaloid.

Classification Code

  • Natural Product

Molecular Formula

  • C22-H33-N-O5

Molecular Weight

  • 391.5047
 
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Names and Synonyms

Name of Substance

  • Heteratisine

Synonyms

  • 20-Ethyl-6-beta,8-dihydroxy-1-alpha-methoxy-4-methylheteratisan-14-one
  • 4-27-00-03718 (Beilstein Handbook Reference)
  • BRN 0052343
  • Heteratisine
  • NSC 295654

Systematic Names

  • Heteratisan-14-one, 20-ethyl-6,8-dihydroxy-1-methoxy-4-, (1alpha,6beta)-
  • Heteratisan-14-one, 20-ethyl-6,8-dihydroxy-1-methoxy-4-methyl-, (1alpha,6beta)- (9CI)
  • Heteratisan-14-one, 6,8-dihydroxy-20-ethyl-1-methoxy-4-methyl-, (1-alpha,6-beta)-
  • Heteratisine (8CI)

Registry Numbers

CAS Registry Number

  • 3328-84-5

System Generated Number

  • 0003328845

Structure Descriptors

InChI

1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18?,20?,21+,22?/m0/s1

InChIKey

YPSAOPXJHSESSR-REBRADLHSA-N

Smiles

CCN1CC2(CC[C@@H](C34[C@@H]2[C@@H]([C@@H](C31)[C@]5(CC[C@H]6C[C@@H]4[C@@H]5C(=O)O6)O)O)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 254mg/kg (254mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 15, Pg. 180, 1984.
mouse LD50 intravenous 147mg/kg (147mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
European Journal of Pharmacology. Vol. 337, Pg. 165, 1997.