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Home> Hot Product Listed P   > Pregn-20-en-3-one,17-hydroxy-21-iodo-, (5a,17a,20E)- (9CI)
8024-11-1 structure

Pregn-20-en-3-one,17-hydroxy-21-iodo-, (5a,17a,20E)- (9CI)

Iupac Name:6-iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CAS No.:8024-11-1
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

17-(2-iodovinyl)dihydrotestosterone

Inchi
InChI=1S/C7H7IN2O/c8-6-2-1-5-7(10-6)11-4-3-9-5/h1-2,9H,3-4H2
InChkey
JMOGCZVMMIYNOX-UHFFFAOYSA-N
Canonical Smiles
C1COC2=C(N1)C=CC(=N2)I
Properties
Density
1.175
Computational chemical data
  • Molecular Weight:g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:261.96
  • Monoisotopic Mass:261.96
  • Complexity:144
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:34.2A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjIAAAAgAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAACxgAAAHgAwAAAACAjjkgYwxJLIFACg ACRiRACCiCAhMiAImKA9fJgOZuLEsJufOCjk0BHY6AaQEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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