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Substance Name: 4-Amino-N-fluorescein isothiocyanate-17-estradiol
RN: 82420-81-3
InChIKey: KBKXIPOFJKAJGG-SWNXMFJWSA-N

Molecular Formula

  • C39-H34-N2-O6-S

Molecular Weight

  • 658.772
 
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Names and Synonyms

Name of Substance

  • 4-Amino-N-fluorescein isothiocyanate-17-estradiol

Synonyms

  • 17beta-Estradiol, 4-amino-N-fluorescein isothiocyanate-
  • 4-Nhef
  • Estradiol-4A-FITC

Systematic Name

  • Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3',6'-diol, 3-(((17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-4-yl)imino)-5(or6)-isothiocyanato-

Registry Numbers

CAS Registry Number

  • 82420-81-3

System Generated Number

  • 0082420813

Structure Descriptors

InChI

1S/C39H34N2O6S/c1-38-15-14-24-23-7-12-32(44)36(26(23)6-5-25(24)28(38)11-13-35(38)45)41-37-27-16-20(40-19-48)2-8-29(27)39(47-37)30-9-3-21(42)17-33(30)46-34-18-22(43)4-10-31(34)39/h2-4,7-10,12,16-18,24-25,28,35,42-45H,5-6,11,13-15H2,1H3/b41-37+

InChIKey

KBKXIPOFJKAJGG-SWNXMFJWSA-N

Smiles

c1(ccc2c(Oc3c(ccc(c3)O)C32O\C(=N\c2c4c(ccc2O)[C@@H]2[C@@H](CC4)[C@@H]4[C@@](CC2)([C@@H](CC4)O)C)c2cc(ccc32)N=C=S)c1)O