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Substance Name: Estrone-3-methylthiophosphonate
RN: 71142-69-3
InChIKey: OPFKWSWJXPDBJS-KCESOSKLSA-N

Note

  • Estrone sulfatase inhibitor.

Molecular Formula

  • C19-H25-O3-P-S

Molecular Weight

  • 364.444
 
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Names and Synonyms

Name of Substance

  • Estrone-3-methylthiophosphonate

Synonym

  • E1-3-Mtp

Systematic Name

  • Estra-1,3,5(10)-trien-17-one, 3-((hydroxymethylphosphinothioyl)oxy)-

Registry Numbers

CAS Registry Number

  • 71142-69-3

System Generated Number

  • 0071142693

Structure Descriptors

InChI

1S/C19H25O3PS/c1-19-10-9-15-14-6-4-13(22-23(2,21)24)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3,(H,21,24)/t15-,16-,17+,19+,23?/m1/s1

InChIKey

OPFKWSWJXPDBJS-KCESOSKLSA-N

Smiles

c1c(cc2CC[C@@H]3[C@@H](c2c1)CC[C@@]1([C@H]3CCC1=O)C)O[P@@](S)(C)=O