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Chemistry

Mol. Mass

399.87

ALogP

3.81

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)[C@H](OC(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1)OC(=O)C(C)C
  • InChIKey: JXTAALBWJQJLGN-KSSFIOAISA-N
    InChI=1S/C19H26ClNO6/c1-11(2)17(24)26-18(12(3)4)27-19(25)21-10-14(9-16(22)23)13-5-7-15(20)8-6-13/h5-8,11-12,14,18H,9-10H2,1-4H3,(H,21,25)(H,22,23)/t14-,18-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2107312   ChEMBL
arbaclofen placarbil

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