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Substance Name: 17-(2-Iodoethenyl)androsta-4,6-dien-17-ol-3-one
RN: 145624-22-2
InChIKey: BTQDHLNPKIOWIW-TWQPTUMUSA-N

Note

  • Active site-directed photoaffinity ligand for androgen-binding proteins.

Molecular Formula

  • C21-H27-I-O2

Molecular Weight

  • 438.342
 
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Names and Synonyms

Name of Substance

  • 17-(2-Iodoethenyl)androsta-4,6-dien-17-ol-3-one

Synonyms

  • 17-IE-Adoo
  • 17alpha-(2-Iodoethenyl)androsta-4,6-dien-17beta-ol-3-one

Systematic Name

  • Pregna-4,6,20-trien-3-one, 17-hydroxy-21-iodo-, (17alpha,20E)-

Registry Numbers

CAS Registry Number

  • 145624-22-2

System Generated Number

  • 0145624222

Structure Descriptors

InChI

1S/C21H27IO2/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h3-4,11-13,16-18,24H,5-10H2,1-2H3/b12-11+/t16-,17+,18+,19+,20+,21-/m1/s1

InChIKey

BTQDHLNPKIOWIW-TWQPTUMUSA-N

Smiles

C1C(C=C2C=C[C@@H]3[C@@H]([C@@]2(C)C1)CC[C@@]1([C@H]3CC[C@@]1(\C=C\I)O)C)=O