Halopredone

CAS Registry Number®

57781-15-4

CAS Name

Halopredone

Molecular Formula

C21H25BrF2O5

Molecular Mass

475.32

Cite this Page

Halopredone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57781-15-4 (retrieved 2024-11-21) (CAS RN: 57781-15-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H25BrF2O5/c1-18-8-16(27)21(24)11(10(18)3-4-20(18,29)17(28)9-25)5-14(23)12-6-15(26)13(22)7-19(12,21)2/h6-7,10-11,14,16,25,27,29H,3-5,8-9H2,1-2H3/t10-,11-,14+,16-,18-,19-,20-,21-/m0/s1

InChIKey

InChIKey=MYZDPUZXMFCPMU-LRIWMWCYSA-N

SMILES

F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)[C@](C(CO)=O)(O)CC3)[H])(C[C@@H](F)C=4[C@]2(C)C=C(Br)C(=O)C4)[H]

Canonical SMILES

O=C1C=C2C(F)CC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C3(F)C2(C=C1Br)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 2-bromo-6,9-difluoro-11,17,21-trihydroxy-, (6β,11β)-
  • (6β,11β)-2-Bromo-6,9-difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione
  • Halopredone

CAS INSIGHTSTM
Targeted protein degrader structure, illustration