Home Other Building Blocks Tofogliflozin hydrate

Tofogliflozin hydrate

CAS No.:
1201913-82-7
Catalog Number:
AG008TN9
Molecular Formula:
C22H28O7
Molecular Weight:
404.4535
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$91
- +
5mg
98%
1 week
United States
$196
- +
10mg
98%
1 week
United States
$279
- +
25mg
≥95%
1 week
United States
$535
- +
50mg
98%
1 week
United States
$807
- +
Product Description
Catalog Number:
AG008TN9
Chemical Name:
Tofogliflozin hydrate
CAS Number:
1201913-82-7
Molecular Formula:
C22H28O7
Molecular Weight:
404.4535
MDL Number:
MFCD27665464
IUPAC Name:
(3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hydrate
InChI:
InChI=1S/C22H26O6.H2O/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22;/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3;1H2/t18-,19-,20+,21-,22+;/m1./s1
InChI Key:
ZXOCGDDVNPDRIW-NHFZGCSJSA-N
SMILES:
OC[C@H]1O[C@]2(OCc3c2cc(cc3)Cc2ccc(cc2)CC)[C@@H]([C@H]([C@@H]1O)O)O.O
UNII:
P8DD8KX4O4
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
404.184g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
404.459g/mol
Monoisotopic Mass:
404.184g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Tofogliflozin: first global approval. Drugs 20140601
Discovery of tofogliflozin, a novel C-arylglucoside with an O-spiroketal ring system, as a highly selective sodium glucose cotransporter 2 (SGLT2) inhibitor for the treatment of type 2 diabetes. Journal of medicinal chemistry 20120913
Tofogliflozin, a potent and highly specific sodium/glucose cotransporter 2 inhibitor, improves glycemic control in diabetic rats and mice. The Journal of pharmacology and experimental therapeutics 20120601
[Research progress of sodium-glucose co-transporter 2 inhibitors for treatment of type 2 diabetes]. Yao xue xue bao = Acta pharmaceutica Sinica 20120601
Properties