Canagliflozin hemihydrate

Basic Information

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CAS Number

928672-86-0

Molecular Formula

C48H52F2O11S2

Molecular Weight

907.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.O

InChI

InChI=1S/2C24H25FO5S.H2O/c2*1-13-2-3-15(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*2-10,19,21-24,26-29H,11-12H2,1H3;1H2/t2*19-,21-,22+,23-,24+;/m11./s1

InChIKey

VHOFTEAWFCUTOS-TUGBYPPCSA-N

LogP

5.111940000000012

Topological Polar Surface Area

211.79999999999998 Å²

Hydrogen Bond Donor/Acceptor

10 / 11

Complexity

574

Safety Information

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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

Canagliflozin hemihydrates
Canagliflozin hemihydrate
(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol,hydrate
ACETANILIDE,2,4-BIS(A-IODOACETAMIDO)-
Canagliflozin hydrate
TA-7284
TA7284 hemihydrate
TA-7284 hemihydrate
UNII-0SAC974Z85
Canagliflozin (hemihydrate)
Canagliflozin
Invokana
Canagliflozin anhydrous
JNJ 24831754ZAE
TA 7284
1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene
6S49DGR869
(2S,3R,4R,5S,6R)-2-(3-((5-(4-FLUOROPHENYL)THIOPHEN-2-YL)METHYL)-4-METHYLPHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL
(1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol
JNJ 28431754
92867
(1s)-1,5-anhydro-1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-d-glucitol
Cagliflozin hydrate
Q47495780
AC-29556
canagliflozin hemihydrate
0SAC974Z85
JNJ-28431754-AAA
bis((2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol) hydrate
(1S)-1,5-Anhydro-1-C-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-D- glucitol hemihydrate
JNJ-24831754-ZAE

MDL Number

MFCD28975933

FAQ

What is Canagliflozin hemihydrate (CAS: 928672-86-0)?

Canagliflozin hemihydrate (CAS: 928672-86-0) is a sulfonamide derivative used as a pharmaceutical compound. Its chemical formula is C19H23N3O6S·½H2O, and it appears as a white crystalline powder. It is slightly soluble in water and exhibits stability under normal storage conditions, making it suitable for drug formulations.

What are the main uses of Canagliflozin hemihydrate (CAS: 928672-86-0)?

Canagliflozin hemihydrate (CAS: 928672-86-0) is primarily used as an SGLT2 inhibitor in pharmaceuticals to treat type 2 diabetes. It helps lower blood glucose levels by promoting urinary glucose excretion. Additionally, it is utilized in research for studying metabolic disorders and drug development.

Is Canagliflozin hemihydrate (CAS: 928672-86-0) safe?

Canagliflozin hemihydrate (CAS: 928672-86-0) is considered safe when used as directed in medical applications. However, proper handling is required to avoid contamination. It adheres to safety standards set by regulatory agencies, but individuals should follow guidelines to ensure safe use and storage.

How should Canagliflozin hemihydrate (CAS: 928672-86-0) be stored?

Canagliflozin hemihydrate (CAS: 928672-86-0) should be stored in a cool, dry place at 20-25°C, away from moisture and light. Keep it in an airtight, moisture-proof container to maintain stability. Avoid exposure to high humidity or extreme temperatures to preserve its chemical integrity.