Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1), heptahydrate
CAS Registry Number®
60583-39-3
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CAS Name
Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1), heptahydrateMolecular Formula
C23H26N2O4.1/2H2O4S.7/2H2OCite 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/ChemicalDetail.aspx?ref=5787-00-8 (retrieved ) (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
