Description:
Canagliflozin hemihydrate is a highly potent and selective inhibitor of subtype 2 sodium-glucose transport protein (SGLT2), which is responsible for at least 90% of the glucose reabsorption in the kidney. It is an experimental drug being developed by Johnson & Johnson for the treatment of type 2 diabetes.
- Molecular Weight: 453.53
- Molecular Formula: C24H25FO5S.1/2H2O
Purity: >98%
Canonical SMILES:
CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.CC1=C(C=C(C=C1)C2C(C(C(C(O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F.O
InChI:
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
InChIKey: VHOFTEAWFCUTOS-TUGBYPPCSA-N
- Appearance: Solid powder
- Application: the potential treatment of type 2 diabetes
Synonyms:
(3R,4R,5S,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol hemihydrate; JNJ 28431754 hemihydrate; TA 7284 hemihydrate; JNJ-24831754-ZAE hemihydrate; JNJ-28431754-AAA hemihydrate; (1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol hydrate (2: 1); Cagliflozin hydrate; Invokana hemihydrate; 1-(β-D-Glucopyranosyl)-4-methyl-3-[5-(4-fluorophenyl)-2-thienylmethyl]benzene hemihydrate
More details are to be found on supplier website
