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Chemistry

Mol. Mass

252.35

ALogP

0.6

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN\C(=N\CCSCc1nc[nH]c1C)\NC#N
  • InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N
    InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL30   ChEMBL
cimetidine *

CHEMBL1201051   ChEMBL
cimetidine hydrochloride

80061L1WGD   NCATS
cimetidine *

Cimetidine   Wikipedia

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