(1S)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol | CAS No. 761423-87-4

(1S)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol

Basic Information

CAS Number

761423-87-4

Molecular Formula

C21H21FO5S

Molecular Weight

404.46 g/mol

AD

Basic Physical Properties

Density

1.452

C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)F

InChI

InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1

InChIKey

AHFWIQIYAXSLBA-RQXATKFSSA-N

LogP

2.1461000000000023

Topological Polar Surface Area

90.15 Ų

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

525

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • IPRAGLIFLOZIN [WHO-DD]
  • AKOS025405258
  • D-GLUCITOL, 1,5-ANHYDRO-1-C-(3-(BENZO(B)THIEN-2-YLMETHYL)-4-FLUOROPHENYL)-, (1S)-
  • SCHEMBL337645
  • D10196
  • (2S,3R,4R,5S,6R)-2-{3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
  • DTXSID701032738
  • D-Glucitol,1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-, (1S)-
  • (1S)-1,5-anhydro-1-(3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl)-D-glucitol
  • (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
  • IPRAGLIFLOZIN [MI]
  • CCG-268693
  • UNII-3N2N8OOR7X
  • ASP1941
  • CHEBI:134724
  • Ipragliflozin (INN)
  • ipragliflozin-L-proline
  • ASP 1941
  • s8637
  • (1S)-1,5-anhydro-1-[3-(1-benzothien-2-ylmethyl)-4-fluorophenyl]-D-glucitol
  • ASP-1941
  • Ipragliflozin [INN]
  • AHFWIQIYAXSLBA-RQXATKFSSA-N
  • AMY38779
  • (1S)-1,5-Anhydro-1-c-[3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl]-D-glucitol
  • EX-A2770
  • AC-29008
  • (1S)-1,5-Anhydro-1-C-(3-((1-benzothiophen-2-yl)methyl)-4-fluorophenyl)-D-glucitol
  • suglat
  • 761423-87-4
  • 3N2N8OOR7X

MDL Number

MFCD19443744

FAQ

What is (1S)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol (CAS: 761423-87-4)?

This compound is a derivative of D-glucitol, featuring a substituted benzothiophene ring. It has the chemical formula C22H24F2O5S and is known for its complex structure, which includes a fluorophenyl group and a benzothiophenylmethyl substituent. The compound is typically used in specialized chemical applications due to its unique functional groups and stereochemistry.

What are the main uses of (1S)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol (CAS: 761423-87-4)?

This compound is primarily used in pharmaceutical research for the development of drugs targeting specific biological pathways. It may also find applications in organic synthesis and as a building block for more complex molecules. Its unique structure makes it relevant in the study of glycosidic interactions and potential therapeutic agents.

Is (1S)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol (CAS: 761423-87-4) safe?

Safety data for this compound is limited, but it should be handled with care in laboratory settings. Precautions include using appropriate personal protective equipment (PPE) and ensuring proper ventilation. It is advisable to follow standard safety protocols for handling organic compounds with potential toxicity, especially those containing sulfur and fluorine atoms.

How should (1S)-1,5-Anhydro-1-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-D-glucitol (CAS: 761423-87-4) be stored?

This compound should be stored in a cool, dry place away from light. It is recommended to keep it in a sealed container at a temperature below 25°C and maintain low humidity levels. Avoid exposure to air and moisture to ensure stability and prolong shelf life.

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