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Substance Name: Estrone-3-O-sulfamate
RN: 148672-09-7
InChIKey: RVKFQAJIXCZXQY-CBZIJGRNSA-N

Note

  • A steroid sulfatase inhibitor.

Classification Code

  • Enzyme Inhibitors

Molecular Formula

  • C18-H23-N-O4-S

Molecular Weight

  • 349.449
 
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Names and Synonyms

Name of Substance

  • Estrone-3-O-sulfamate

Synonyms

  • 3-((Aminosulfonyl)oxy)estra-1,3,5(10)-trien-17-one
  • Emate compound
  • Estra-1,3,5(10)-trien-17-one-3-sulfamate
  • Oestrone-3-O-sulphamate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 148672-09-7

System Generated Number

  • 0148672097

Structure Descriptors

InChI

1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1

InChIKey

RVKFQAJIXCZXQY-CBZIJGRNSA-N

Smiles

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