(1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol | CAS No. 461432-26-8

(1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol

Basic Information

CAS Number

461432-26-8

Molecular Formula

C21H25ClO6

Molecular Weight

408.88 g/mol

AD

Basic Physical Properties

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl

InChI

InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1

InChIKey

JVHXJTBJCFBINQ-ADAARDCZSA-N

LogP

1.8443999999999987

Topological Polar Surface Area

99.38000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

472

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

  • Dapagliflozin [USAN]
  • (1S)-1,5-anhydro-1-(4-chloro-3-(4-ethoxybenzyl)phenyl)-D-glucitol
  • BDBM20880
  • JVHXJTBJCFBINQ-ADAARDCZSA-N
  • Forxiga
  • BRD-K58160573-001-05-4
  • LE6
  • (2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6- (hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
  • 2-(3-(4-Ethoxybenzyl)-4-chlorophenyl)-6-hydroxymethyltetrahydro-2H-pyran-3,4,5-triol
  • DAPAGLIFLOZIN [WHO-DD]
  • BL-0052
  • DAPAGLIFLOZIN [ORANGE BOOK]
  • BCP9000583
  • Dapagliflozin (USAN/INN)
  • DAPAGLIFLOZIN [VANDF]
  • (2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
  • NS00099173
  • QTERNMET COMPONENT DAPAGLIFOZIN
  • DAPAGLIFLOZIN COMPONENT OF QTERNMET XR
  • (2S,3R,4R,5S,6R)-2-(3-(4-ethoxybenzyl)-4-chlorophenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
  • BDBM50448923
  • Forxiga (TN)
  • dapagliflozinum
  • EX-A005
  • CCG-229917
  • BMS-512148
  • A25150
  • Dapagliflozina
  • S1548_Selleck
  • EX-7214
  • DAPAGLIFLOZIN [MI]

MDL Number

MFCD13182359

FAQ

What is (1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol (CAS: 461432-26-8)?

(1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol (CAS: 461432-26-8) is a synthetic organic compound with a complex structure involving a glucose-derived scaffold. It features a chloro and ethoxybenzyl substituent on the aromatic ring, making it a potential intermediate in pharmaceutical synthesis. This compound is typically used in research settings and has a molecular formula of C21H24Cl2O6.

What are the main uses of (1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol (CAS: 461432-26-8)?

This compound is primarily used in pharmaceutical research as a building block for drug development, particularly in the synthesis of anti-inflammatory agents. It may also find applications in chemical synthesis and as a precursor for various derivatives. Due to its structural complexity, it is of interest in medicinal chemistry and bioorganic research.

Is (1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol (CAS: 461432-26-8) safe?

Safety data for this compound is limited, but as a chemical intermediate, it should be handled with appropriate protective measures. It is advisable to use personal protective equipment (PPE) such as gloves and goggles when working with it. While no significant toxicity has been reported, it should be treated as a potential irritant and stored away from incompatible substances to ensure safety.

How should (1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol (CAS: 461432-26-8) be stored?

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

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