bexagliflozin (CHEBI:229225)

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CHEBI:229225 - bexagliflozin

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ChEBI ID	CHEBI:229225
ChEBI Name	bexagliflozin
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Definition	A C-glycosyl comprising of β-D-glucose in which the anomeric hydroxy group is replaced by a 4-chloro-3-({4-[2-(cyclopropyloxy)ethoxy]phenyl}methyl)phenyl group. It is a sodium-glucose co-transporter 2 (SGLT2) inhibitor indicated as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus.
Last Modified	16 April 2024
Submitter	Adnan
Downloads	Molfile

Formula	C24H29ClO7
Net Charge	0
Average Mass	464.942
Monoisotopic Mass	464.16018
SMILES	OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13-26)32-24)12-16(19)11-14-1-4-17(5-2-14)30-9-10-31-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,21-,22+,23-,24+/m1/s1
InChIKey	BTCRKOKVYTVOLU-SJSRKZJXSA-N

Wikipedia

Roles Classification

Biological Role:	sodium-glucose transport protein subtype 2 inhibitor Any inhibitor that interferes with the action of sodium-glucose transport protein subtype 2.
Applications:	antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. hypoglycemic agent A drug which lowers the blood glucose level.

ChEBI Ontology

Outgoing Relation(s)
	bexagliflozin (CHEBI:229225) has role antihypertensive agent (CHEBI:35674)
	bexagliflozin (CHEBI:229225) has role hypoglycemic agent (CHEBI:35526)
	bexagliflozin (CHEBI:229225) has role sodium-glucose transport protein subtype 2 inhibitor (CHEBI:73273)
	bexagliflozin (CHEBI:229225) is a C-glycosyl compound (CHEBI:20857)
	bexagliflozin (CHEBI:229225) is a aromatic ether (CHEBI:35618)
	bexagliflozin (CHEBI:229225) is a cyclopropanes (CHEBI:51454)
	bexagliflozin (CHEBI:229225) is a diether (CHEBI:46786)
	bexagliflozin (CHEBI:229225) is a monochlorobenzenes (CHEBI:83403)

IUPAC Name
(1S)-1,5-anhydro-1-(4-chloro-3-{4-[2-(cyclopropyloxy)ethoxy]benzyl}phenyl)-D-glucitol

INNs	Source
bexagliflozin	WHO MedNet
bexagliflozina	WHO MedNet
bexagliflozine	WHO MedNet
bexagliflozinum	WHO MedNet

Synonyms	Source
(1S)-1,5-anhydro-1-C-[4-chloro-3-[[4-[2-(cyclopropyloxy)ethoxy]phenyl]methyl]phenyl]-D-glucitol	ChEBI
(2S,3R,4R,5S,6R)-2-(4-chloro-3-{4-[2-(cyclopropyloxy)ethoxy]benzyl}phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol	IUPAC
(2S,3R,4R,5S,6R)-2-[4-chloro-3-({4-[2-(cyclopropyloxy)ethoxy]phenyl}methyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol	IUPAC
EGT0001442	DrugBank
EGT 1442	ChEBI
EGT-1442	DrugBank

Brand Name	Source
Brenzavvy	KEGG DRUG

Manual Xrefs	Databases
Bexagliflozin	Wikipedia
D10865	KEGG DRUG
DB12236	DrugBank

Registry Numbers	Sources
CAS:1118567-05-7	KEGG DRUG

Citations