Canagliflozin hemihydrate

CAS 928672-86-0C24H25FO5SMW 444.5

Canagliflozin hemihydrate (CAS 928672-86-0) — formula C24H25FO5S, molecular weight 444.5.

Product Overview

CAS Number	928672-86-0
Molecular Formula	C24H25FO5S
Molecular Weight	444.5
Melting Point	68-72
Boiling Point	‎642.9±55.0
LogP	3.44

Technical Profile

What this product is

Canagliflozin hemihydrate is a chemical compound with CAS registry number 928672-86-0 and molecular formula C24H25FO5S (molecular weight 444.5).

Identification

CAS number: 928672-86-0

Its molecular formula C24H25FO5S comprises 24 C, 25 H, 1 F, 5 O, 1 S atoms.

Also known as: Canagliflozin hemihydrate · 卡格列净半水合物

Frequently Asked Questions

What is the CAS number of Canagliflozin hemihydrate?

The CAS registry number of Canagliflozin hemihydrate is 928672-86-0.

What is the molecular formula and molecular weight of Canagliflozin hemihydrate?

Molecular formula C24H25FO5S, molecular weight 444.5.

What other names is Canagliflozin hemihydrate known by?

It is also registered under: Canagliflozin hemihydrate, 卡格列净半水合物.

PubChem Public Data

Independent reference data for Canagliflozin hemihydrate (CAS 928672-86-0), compiled from public chemistry databases.

Registry identifiers across databases

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

Physicochemical values on record

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

Documented uses on record

Synonyms and trade names

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)-

GHS hazard classification

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

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

What the public record says

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

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.