Affinine

CAS Registry Number®

2134-82-9

CAS Name

Affinine

Molecular Formula

C20H24N2O2

Molecular Mass

324.42

Cite this Page

Affinine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2134-82-9 (retrieved 2024-11-27) (CAS RN: 2134-82-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O2/c1-3-12-10-22(2)18-8-15-13-6-4-5-7-17(13)21-20(15)19(24)9-14(12)16(18)11-23/h3-7,14,16,18,21,23H,8-11H2,1-2H3/b12-3-/t14-,16-,18-/m0/s1

InChIKey

InChIKey=PXFBZOLANLWPMH-FZOXYNGQSA-N

SMILES

O=C1C2=C(C=3C(N2)=CC=CC3)C[C@]4([C@@H](CO)[C@@](C1)(/C(=C\C)/CN4C)[H])[H]

Canonical SMILES

O=C1C=2NC=3C=CC=CC3C2CC4N(C)CC(=CC)C(C1)C4CO

Other Names for this Substance

  • Vobasan-3-one, 17-hydroxy-
  • Affinine
  • 17-Hydroxyvobasan-3-one

CAS INSIGHTSTM
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