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:	hypoglycemic agent A drug which lowers the blood glucose level. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.

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