Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1), heptahydrate

CAS Registry Number®

60583-39-3

CAS Name

Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1), heptahydrate

Molecular Formula

C23H26N2O4.1/2H2O4S.7/2H2O

Cite this Page

Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1), heptahydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60583-39-3 (retrieved 2024-11-22) (CAS RN: 60583-39-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H26N2O4.H2O4S.H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);1H2/t13-,18-,19-,21-,22-,23+;;/m0../s1

InChIKey

InChIKey=CUPIRWMKFNPKKM-FIMIILAWSA-N

SMILES

S(=O)(=O)(O)O.O=C1N2[C@@]3([C@]4(C=5C2=CC(OC)=C(OC)C5)[C@]6([N@@](CC4)CC=7[C@@]([C@]3([C@](C1)(OCC7)[H])[H])(C6)[H])[H])[H].O

Canonical SMILES

O=C1N2C3=CC(OC)=C(OC)C=C3C45CCN6CC7=CCOC(C1)C(C7CC64)C25.O=S(=O)(O)O.O

Other Names for this Substance

  • Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1), heptahydrate
  • Brucine sulfate heptahydrate
  • Brucine sulfate (2:1), heptahydrate

Deleted or Replaced CAS Registry Numbers

5787-00-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration