Dioscorine

CAS Registry Number®

3329-91-7

CAS Name

Dioscorine

Molecular Formula

C13H19NO2

Molecular Mass

221.30

Cite this Page

Dioscorine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3329-91-7 (retrieved 2024-11-21) (CAS RN: 3329-91-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    140-145 °C @ Press: 0.04 Torr

  • Melting Point (2)

    54-55 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H19NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h5,10-11H,3-4,6-8H2,1-2H3/t10-,11-,13+/m1/s1

InChIKey

InChIKey=YBQKKTNDAXVYGX-WZRBSPASSA-N

SMILES

CC=1C[C@]2([C@]3(CN(C)[C@@](C2)(CC3)[H])[H])OC(=O)C1

Canonical SMILES

O=C1OC2(CC(=C1)C)CC3N(C)CC2CC3

Other Names for this Substance

  • Spiro[2-azabicyclo[2.2.2]octane-5,2′-[2H]pyran]-6′(3′H)-one, 2,4′-dimethyl-, (1R,2′S,4R)-
  • Dioscorine
  • Spiro[2-azabicyclo[2.2.2]octane-5,2′-[2H]pyran]-6′(3′H)-one, 2,4′-dimethyl-, [1R-(1α,4α,5α)]-
  • (1R,2′S,4R)-2,4′-Dimethylspiro[2-azabicyclo[2.2.2]octane-5,2′-[2H]pyran]-6′(3′H)-one
  • NSC 107662

Deleted or Replaced CAS Registry Numbers

46475-18-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration