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Substance Name: 4-Hydroxy-equilenin
RN: 81608-60-8
InChIKey: MRSWRSDZIPNFCN-KSSFIOAISA-N

Note

  • Is the major catechol metabolite of the equine estrogens EQUILENIN and EQUILIN; induces DNA damage.

Molecular Formula

  • C18-H18-O3

Molecular Weight

  • 282.3372
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxy-equilenin

Synonym

  • 4-Hydroxyequilenin

Systematic Name

  • Estra-1,3,5,7,9-pentaen-17-one, 3,4-dihydroxy-

Registry Numbers

CAS Registry Number

  • 81608-60-8

System Generated Number

  • 0081608608

Structure Descriptors

InChI

1S/C18H18O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h2-4,6,14,19,21H,5,7-9H2,1H3/t14-,18-/m0/s1

InChIKey

MRSWRSDZIPNFCN-KSSFIOAISA-N

Smiles

C[C@]12CCc3c4ccc(c(c4ccc3[C@@H]1CCC2=O)O)O