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Substance Name: Dehydroheliotrine
RN: 23107-11-1
InChIKey: KYSOVPPHGLNVRV-ULKWEWGCSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C16-H25-N-O5

Molecular Weight

  • 311.3755
 
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Names and Synonyms

Results Name

  • Dehydroheliotrine

Synonyms

  • 3,8-Didehydroheliotrine
  • Dehydroheliotrine
  • Heliotrine, 3,8-didehydro-

Systematic Name

  • Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3-dihydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1-alpha,7(R*(S*))))-

Registry Numbers

CAS Registry Number

  • 23107-11-1

System Generated Number

  • 0023107111

Structure Descriptors

InChI

1S/C16H25NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,7,10-11,13,18,20H,6,8-9H2,1-4H3/t11?,13-,16?/m0/s1

InChIKey

KYSOVPPHGLNVRV-ULKWEWGCSA-N

Smiles

CC(C)C(C(C)OC)(C(=O)OCc1ccn2c1[C@H](CC2)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 62mg/kg (62mg/kg) LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Chemico-Biological Interactions. Vol. 12, Pg. 299, 1976.