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Chemistry

Mol. Mass

436.883

ALogP

1.36

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)C=C1
  • InChIKey: MCIACXAZCBVDEE-CUUWFGFTSA-N
    1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1770248   ChEMBL
ertugliflozin

6C282481IP   NCATS
ertugliflozin *

Ertugliflozin   Wikipedia

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