STRYCHNINE(60-41-3) IR1
Product NameSTRYCHNINE
CAS60-41-3
Molecular FormulaC21H22N2O2.1/2H2O4S
Molecular Weight766.91
InChIInChI=1S/2C21H22N2O2.H2O4S/c2*24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-5(2,3)4/h2*1-5,13,16-17,19-20H,6-11H2;(H2,1,2,3,4)/t2*13-,16-,17-,19-,20-,21+;/m00./s1
InChIKey GOOCRIHPADOQAS-ZNUXJMJHSA-N
SmilesC1=CC2[C@]34CCN5[C@@]3([H])C[C@@]3([C@@]6([C@@]4(N(C(=O)C[C@@H]6OCC=C3C5)C=2C=C1)[H])[H])[H].C1=CC2[C@]34CCN5[C@@]3([H])C[C@@]3([C@@]6([C@@]4(N(C(=O)C[C@@H]6OCC=C3C5)C=2C=C1)[H])[H])[H].S(O)(O)(=O)=O
