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Substance Name: Samandarine
RN: 467-51-6
UNII: IJN7TXF3HK
InChIKey: HJCSQOSWSRPBOU-XTXNWKRWSA-N

Molecular Formula

  • C19-H31-N-O2

Molecular Weight

  • 305.4589
 
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Names and Synonyms

Name of Substance

  • Samandarine

Synonyms

  • 4-27-00-01819 (Beilstein Handbook Reference)
  • BRN 0014646
  • Samandarin
  • UNII-IJN7TXF3HK

Systematic Names

  • 3-Aza-A-homoandrostan-16-ol, 1,4-epoxy-, (1-alpha,4-alpha,5-beta,16-beta)- (9CI)
  • Samandarine

Registry Numbers

CAS Registry Number

  • 467-51-6

FDA UNII

  • IJN7TXF3HK

System Generated Number

  • 0000467516

Structure Descriptors

InChI

1S/C19H31NO2/c1-18-6-5-14-13(15(18)8-12(21)9-18)4-3-11-7-17-20-10-16(22-17)19(11,14)2/h11-17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14+,15+,16+,17+,18-,19+/m1/s1

InChIKey

HJCSQOSWSRPBOU-XTXNWKRWSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]34C)[C@@H]1C[C@H](O)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LD50 subcutaneous 19mg/kg (19mg/kg)   Pharmazie in Unserer Zeit. Vol. 15, Pg. 97, 1986.
mouse LD50 intraperitoneal 300ug/kg (0.3mg/kg)   Toxicon. Vol. 7, Pg. 315, 1969.
mouse LD50 subcutaneous 1500ug/kg (1.5mg/kg)   Naturwissenschaften. Vol. 56, Pg. 615, 1969.
rabbit LD50 intravenous 1mg/kg (1mg/kg)   Pharmazie in Unserer Zeit. Vol. 15, Pg. 97, 1986.