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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30ClN3O2.2H3O4P
Molecular Weight 611.947
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DSP-0390 DIPHOSPHATE

SMILES

OP(O)(O)=O.OP(O)(O)=O.CC1(C)OC2=CC(Cl)=CC=C2[C@@H]3OCC4(CCN(CCN5C=CN=C5)CC4)C[C@@H]13

InChI

InChIKey=SNFDFJIRGSZGNC-NPGCWXMXSA-N
InChI=1S/C23H30ClN3O2.2H3O4P/c1-22(2)19-14-23(5-8-26(9-6-23)11-12-27-10-7-25-16-27)15-28-21(19)18-4-3-17(24)13-20(18)29-22;2*1-5(2,3)4/h3-4,7,10,13,16,19,21H,5-6,8-9,11-12,14-15H2,1-2H3;2*(H3,1,2,3,4)/t19-,21+;;/m1../s1

HIDE SMILES / InChI

Approval Year