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Substance Name: Biotinylestrone
RN: 81352-82-1
InChIKey: WRCYWDZGUPLALM-UHFFFAOYSA-N

Molecular Formula

  • C28-H36-N2-O4-S

Molecular Weight

  • 496.668
 
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Names and Synonyms

Name of Substance

  • Biotinylestrone

Synonyms

  • Biotin-estrone conjugate
  • Biotinyloestrone

Systematic Name

  • Estra-1,3,5(10)-trien-17-one, 3-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)oxy)-, (3(3aS,4S,6aR))-

Registry Numbers

CAS Registry Number

  • 81352-82-1

System Generated Number

  • 0081352821

Structure Descriptors

InChI

1S/C28H36N2O4S/c1-28-13-12-19-18-9-7-17(14-16(18)6-8-20(19)21(28)10-11-24(28)31)34-25(32)5-3-2-4-23-26-22(15-35-23)29-27(33)30-26/h7,9,14,19-23,26H,2-6,8,10-13,15H2,1H3,(H2,29,30,33)

InChIKey

WRCYWDZGUPLALM-UHFFFAOYSA-N

Smiles

C1[C@@H]2[C@@](C(C1)=O)(CC[C@@H]1c3ccc(OC(CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]45)=O)cc3CC[C@@H]21)C