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canagliflozin hydrate
A hydrate that is the hemihydrate form of canagliflozin. Used for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2.

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03. Biological Effects of Specific Chemicals

			biochemical uses [CHEBI:52206] (3306)

				sodium-glucose transport protein subtype 2 inhibitor [CHEBI:73273] (2)

canagliflozin hydrate [CHEBI:73272] (1)

05. Industrial Uses

			pharmaceutical [CHEBI:52217] (1978)

				drug [CHEBI:23888] (1930)

					hypoglycemic agent [CHEBI:35526] (29)

canagliflozin hydrate [CHEBI:73272] (1)

08. Chemical Category

			polyatomic entity [CHEBI:36357] (18777)

				heteroatomic molecular entity [CHEBI:37577] (13672)

					addition compound [CHEBI:35504] (113)

						hydrate [CHEBI:35505] (111)

canagliflozin hydrate [CHEBI:73272] (1)

ChEBI Compound Accession Identifier:

[CHEBI:73272]

ChEBI Compound Description:

A hydrate that is the hemihydrate form of canagliflozin. Used for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2.

ChEBI Compound Identification Number:

73272

ChEBI InChI Value:

"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"

ChEBI InChIKey Value:

VHOFTEAWFCUTOS-TUGBYPPCSA-N

ChEBI Compound Name:

canagliflozin hydrate

ChEBI SMILES Value:

O.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1.[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1

ChEBI Substance ID:

162169350

ChEBI URL:

ChEBI:73272

ChemSpider ID:

28528041

Ontomatica Chemical Accession Key (OnChAKey):

VHOFTEAWFCUTOS_TUGBYPPCSA_N_000_000000

PubChem Compound ID:

24997615