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Pregnenolone 16α-carbonitrile

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This is an old revision of this page, as edited by The chemistds (talk | contribs) at 15:51, 30 October 2015 (added CSID and InChI(Key)s). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Pregnenolone 16α-carbonitrile
Names
IUPAC name
(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
  • InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1
    Key: VSBHRRMYCDQLJF-ZDNYCOCVSA-N
  • InChI=1/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1
    Key: VSBHRRMYCDQLJF-ZDNYCOCVBP
  • CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C#N
Properties
C22H31NO2
Molar mass 341.49 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Pregnenolone 16α-carbonitrile (PCN) is a steroidal antiglucocorticoid and pregnane X receptor agonist.

See also

References


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