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Substance Name: RS-2196
RN: 53-44-1
UNII: 1K4K9BIH91
InChIKey: SKZOMAZQGJCCKH-AANPDWTMSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C22-H29-N-O2

Molecular Weight

  • 339.4761
 
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Names and Synonyms

Results Name

  • RS-2196

Name of Substance

  • 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-propanenitrile

Synonyms

  • 3-((3-Methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)propionitrile
  • 3-Methoxy-17-beta-cyanethoxyestra-1,3,5(10)-trien
  • 3-Methoxy-17-beta-cyanethoxyoestra-1,3,5(10)-trien
  • BRN 2165429
  • NSC 89843
  • RS-2196
  • UNII-1K4K9BIH91

Systematic Name

  • Propionitrile, 3-((3-methoxyestra-1,3,5(10)-trien-17-beta-yl)oxy)-

Registry Numbers

CAS Registry Number

  • 53-44-1

FDA UNII

  • 1K4K9BIH91

System Generated Number

  • 0000053441

Structure Descriptors

InChI

1S/C22H29NO2/c1-22-11-10-18-17-7-5-16(24-2)14-15(17)4-6-19(18)20(22)8-9-21(22)25-13-3-12-23/h5,7,14,18-21H,3-4,6,8-11,13H2,1-2H3/t18-,19-,20+,21+,22+/m1/s1

InChIKey

SKZOMAZQGJCCKH-AANPDWTMSA-N

Smiles

C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OCCC#N)OC