API0232763

Sotagliflozin

Sorbitol is an osmotic laxative.

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Molecular Weight (g/mol)

424.9
Molecular Formula

C21H25ClO5S
InChI

InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
InChIKey

QKDRXGFQVGOQKS-CRSSMBPESA-N
SMILES

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)SC)O)O)O)Cl
IUPAC Name

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol
Exact Mass (Da)

424.1111228
Monoisotopic Mass (Da)

424.1111228

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