Structure

Dapagliflozin

CAS
461432-26-8
Catalog Number
ACM461432268
Category
Steroidal Compounds
Molecular Weight
408.87
Molecular Formula
C21H25ClO6

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Specification

Synonyms
Dapagliflozin; [14C]-Dapagliflozin; S1548_Selleck; D-Glucitol,1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-,(1S); Forxiga (TN); (2S,3R,4R,5S,6R)-2-[4-chloro-3-(4-ethoxybenzyl)phenyl]-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol; dapaglifozin; (2S,3R,4R,5S,6R)-2-[4-chloro-3-(4-ethoxybenzyl)phenyl]-6-(hydroxymethy)tetrahydro-2H-pyran-3,4,5-triol; (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;
IUPAC Name
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl
InChI Key
JVHXJTBJCFBINQ-ADAARDCZSA-N
Boiling Point
609ºC at 760mmHg
Flash Point
322.1ºC
Density
1.349
Exact Mass
408.13400
What is the molecular formula of Dapagliflozin?

The molecular formula of Dapagliflozin is C21H25ClO6.

When was Dapagliflozin created?

Dapagliflozin was created on October 25, 2006.

What is the molecular weight of Dapagliflozin?

The molecular weight of Dapagliflozin is 408.9 g/mol.

What is the role of Dapagliflozin as mentioned in the description?

Dapagliflozin has a role as a hypoglycemic agent and a sodium-glucose transport protein subtype 2 inhibitor.

What is the mechanism of action of Dapagliflozin?

The mechanism of action of Dapagliflozin is as a Sodium-Glucose Transporter 2 Inhibitor.

What is the IUPAC Name of Dapagliflozin?

The IUPAC Name of Dapagliflozin is (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the InChIKey of Dapagliflozin?

The InChIKey of Dapagliflozin is JVHXJTBJCFBINQ-ADAARDCZSA-N.

What is the canonical SMILES of Dapagliflozin?

The canonical SMILES of Dapagliflozin is CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl.

What is the CAS number of Dapagliflozin?

The CAS number of Dapagliflozin is 461432-26-8.

What is the XLogP3-AA value of Dapagliflozin?

The XLogP3-AA value of Dapagliflozin is 2.3.

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