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Substance Name: Heliotrine
RN: 303-33-3
UNII: ZYB88Y4FUZ
InChIKey: LMFKRLGHEKVMNT-UJDVCPFMSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C16-H27-N-O5

Molecular Weight

  • 313.3913
 
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Names and Synonyms

Name of Substance

  • Heliotrine

Synonyms

  • (+)-Heliotrine
  • 7S-Heliotrine
  • AI3-51769
  • BRN 0292841
  • CCRIS 9196
  • Heliotron
  • UNII-ZYB88Y4FUZ

Systematic Names

  • Butanoic acid, 2-hydroxy-2-((1R)-1-methoxyethyl)-3-methyl-, ((1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (2S)-
  • Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1 alpha,7(2R*,3S*),7a alpha))-
  • Heliotrine

Registry Numbers

CAS Registry Number

  • 303-33-3

FDA UNII

  • ZYB88Y4FUZ

System Generated Number

  • 0000303333

Structure Descriptors

InChI

1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1

InChIKey

LMFKRLGHEKVMNT-UJDVCPFMSA-N

Smiles

C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo intraperitoneal 250mg/kg (250mg/kg)   Pharmacological Reviews. Vol. 22, Pg. 429, 1970.
mammal (species unspecified) LDLo unreported 260mg/kg (260mg/kg)   Pharmacological Reviews. Vol. 22, Pg. 429, 1970.
mouse LD50 intravenous 251mg/kg (251mg/kg) LIVER: OTHER CHANGES AMA Archives of Pathology. Vol. 64, Pg. 152, 1957.
rat LD50 intraperitoneal 296mg/kg (296mg/kg) GASTROINTESTINAL: OTHER CHANGES

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

KIDNEY, URETER, AND BLADDER: HEMATURIA
Journal of Pathology and Bacteriology. Vol. 75, Pg. 17, 1958.
rat LD50 intravenous 274mg/kg (274mg/kg) LIVER: OTHER CHANGES AMA Archives of Pathology. Vol. 64, Pg. 152, 1957.
rat LDLo oral 50mg/kg (50mg/kg)   Nature. Vol. 179, Pg. 361, 1957.