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Chemistry

Mol. Mass

359.51

ALogP

4.56

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCCON=C1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC(=O)[C@H]2C1
  • InChIKey: CSHMJIGWNVRUHR-QNXQDRBBSA-N
    InChI=1S/C22H33NO3/c1-4-11-26-23-14-7-9-21(2)17-8-10-22(3)16(5-6-20(22)25)15(17)13-19(24)18(21)12-14/h15-18H,4-13H2,1-3H3/t15-,16-,17-,18+,21+,22-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989692   ChEMBL

CHEMBL3138451   ChEMBL
istaroxime

Istaroxime   Wikipedia

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