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Substance Name: beta-Estradiol 3-anthranilate
RN: 111111-97-8
InChIKey: KZDLYRDWDPOBMR-CWWQDXLCSA-N

Molecular Formula

  • C25-H29-N-O3

Molecular Weight

  • 391.508
 
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Names and Synonyms

Results Name

  • beta-Estradiol 3-anthranilate

Synonyms

  • beta-Estradiol 3-anthranilate
  • beta-Estradiol-3-anthranilate

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-(2-aminobenzoate)

Registry Numbers

CAS Registry Number

  • 111111-97-8

System Generated Number

  • 0111111978

Structure Descriptors

InChI

1S/C25H29NO3/c1-25-13-12-18-17-9-7-16(29-24(28)20-4-2-3-5-22(20)26)14-15(17)6-8-19(18)21(25)10-11-23(25)27/h2-5,7,9,14,18-19,21,23,27H,6,8,10-13,26H2,1H3/t18-,19-,21+,23+,25+/m1/s1

InChIKey

KZDLYRDWDPOBMR-CWWQDXLCSA-N

Smiles

c1(ccc2[C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CCc2c1)O)C)OC(c1c(cccc1)N)=O