卡格列净半水合物

Description

Canagliflozin hemihydrate · CAS 928672-86-0 · C24H25FO5S. UNII 6S49DGR869. Boiling Point: ‎642.9±55.0; Melting Point: 68-72; LogP: 3.44.

Identification

CAS Registry Number	928672-86-0
PubChem CID	24812758
Molecular formula	C24H25FO5S
IUPAC name	(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
UNII (FDA)	6S49DGR869

Computed Descriptors

Molecular Weight	444.5
XLogP3	3.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	444.14067323
Monoisotopic Mass	444.14067323
Topological Polar Surface Area	118
Heavy Atom Count	31
Formal Charge	0

Physical & Chemical Properties

Boiling Point	‎642.9±55.0
Melting Point	68-72
LogP	3.44
Dissociation Constants	13.34

Physical description & handling notes

• almost insoluble
• Practically insoluble in aqueous media from pH 1.1 to pH 12.9 /Canagliflozin hemihydrate/
• log Kow: 1.59; Koc: 5.9 /Canagliflozin hemihydrate (928672-86-0)/
• Table: Canagliflozin Preparations [Table#8277]

GHS Hazard Classification

Reported hazard statements	H302 (66.7%), H318 (16.7%), H319 (50%), H361 (66.7%), H362 (33.3%), H411 (83.3%)

Documented Uses

• Invokamet is canagliflozin hemihydrate in combination with metformin hydrochloride. /Canagliflozin hemihydrate (928672-86-0)/
• Canagliflozin, approved by the Food and Drug Administration (FDA) in 2013, belongs to a class of medications known as sodium-glucose cotransporter 2 (SGLT2) inhibitors.
• Breast Feeding; Lactation; Milk, Human; Hypoglycemic Agents; Sodium-Glucose Cotransporter 2 Inhibitors; SGLT2 Inhibitors
• Canagliflozin; METformin Hydrochloride
• Invokana (canagliflozin) is indicated as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. /Included in US product label/
• Hypersensitivity reactions (e.g., generalized urticaria), some serious, have been reported with canagliflozin treatment. These reactions generally occurred within hours to days of canagliflozin initiation. If a hypersensitivity reaction occurs, the drug should be discontinued, appropriate treatment instituted, and the patient monitored until signs and symptoms resolve.

Synonyms

Canagliflozin; 842133-18-0; Invokana; Canagliflozin anhydrous; TA-7284; JNJ-28431754; 6S49DGR869; 1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene; CHEBI:73274; DTXSID601004469; Canagliflozina; Canagliflozine; (1S)-1,5-Anhydro-1-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-D-glucitol; (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; D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)-

Frequently Asked Questions

What are the CAS number and molecular formula of Canagliflozin hemihydrate?

CAS 928672-86-0; molecular formula C24H25FO5S; molecular weight — g/mol.

What other names is Canagliflozin hemihydrate known by?

Canagliflozin, 842133-18-0, Invokana, Canagliflozin anhydrous, TA-7284, JNJ-28431754.

Is Canagliflozin hemihydrate classified as hazardous?

Hazard statements reported: H302, H318, H319, H361, H362.

What are the key physical properties of Canagliflozin hemihydrate?

Boiling Point: ‎642.9±55.0; Melting Point: 68-72; LogP: 3.44; Dissociation Constants: 13.34.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.