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Molecule record

(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C24H25FO5S

444.52 g/mol

Loading structure

Molecular properties

Formula
C24H25FO5S
Molar mass
444.52 g·mol−1
Exact mass
444.1407 Da
12
PubChem CID
24812758

Functional groups

Alcohol
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (1S)-1,5-Anhydro-1-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-D-glucitol
  • (1S)-1,5-Anhydro-1-C-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-D-glucitol hemihydrate
  • (1S)-1,5-Anhydro-1-c-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-D-glucitol
  • 0SAC974Z85
  • 1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene
  • 1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene-T777973
  • 6S49DGR869
  • 842133-18-0
Show all 24 synonyms
  • A10BK02
  • CHEBI:73274
  • Canagliflozin
  • Canagliflozin anhydrous
  • Canagliflozina
  • Canagliflozine
  • D-Glucitol, 1,5-anhydro-1-C-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-, hydrate (2:1), (1S)-
  • D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)-
  • DTXCID901431370
  • DTXSID601004469
  • INVOKAMET COMPONENT CANAGLIFLOZIN
  • Invokana
  • JNJ-28431754
  • RefChem:398790
  • TA-7284
  • canagliflozinum

Structure identifiers

Canonical SMILES
Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
Isomeric SMILES
CC1=C(C=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
InChIKey
XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
PubChem CID
24812758

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record