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Substance Name: Heliotrine N-oxide
RN: 6209-65-0
InChIKey: QSTHEUSPIBEICI-ORJSOOTCSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C16-H27-N-O6

Molecular Weight

  • 329.3903
 
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Names and Synonyms

Name of Substance

  • Heliotrine N-oxide

Synonyms

  • Heliotrine, 4-oxide
  • Heliotrine, N-oxide
  • NSC 30621

Systematic Names

  • (1S-(1alpha,7(2R*,3S*),7aalpha))-2-Hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester
  • Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, N-oxide, (1S-(1-alpha,7(2R*,3S*),7a-alpha))-

Registry Numbers

CAS Registry Number

  • 6209-65-0

System Generated Number

  • 0006209650

Structure Descriptors

InChI

1S/C16H27NO6/c1-10(2)16(20,11(3)22-4)15(19)23-9-12-5-7-17(21)8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11?,13-,14-,16?,17?/m0/s1

InChIKey

QSTHEUSPIBEICI-ORJSOOTCSA-N

Smiles

CC(C)C(C(C)OC)(C(=O)OCC1=CC[N+]2([C@@H]1[C@H](CC2)O)[O-])O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 2500mg/kg (2500mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

KIDNEY, URETER, AND BLADDER: HEMATURIA

GASTROINTESTINAL: OTHER CHANGES
Journal of Pathology and Bacteriology. Vol. 75, Pg. 17, 1958.