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Substance Name: 1-Bromohexestrol
RN: 74536-64-4
InChIKey: NXTVRZYDIKGZQK-OKILXGFUSA-N

Note

  • Estrogen-receptor-based agent for imaging of human breast tumors.

Molecular Weight

  • 428.162
 
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Names and Synonyms

Name of Substance

  • 1-Bromohexestrol

Systematic Name

  • Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis(2-bromo-, (R*,S*)-

Registry Numbers

CAS Registry Number

  • 74536-64-4

System Generated Number

  • 0074536644

Structure Descriptors

InChI

1S/C18H20Br2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3/t13-,14+

InChIKey

NXTVRZYDIKGZQK-OKILXGFUSA-N

Smiles

C(C)[C@@H]([C@@H](CC)c1cc(c(cc1)O)Br)c1cc(c(cc1)O)Br