Tofogliflozin hydrate (CSG–452 hydrate)

cas: 1201913-82-7 — see every product listed under this CAS number, including other names

Tofogliflozin hydrate (CSG–452 hydrate) (CAS 1201913-82-7) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 10mM (in 1ml dmso), 2mg, 5mg, 50mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC31377-10
cas1201913-82-7
size10mg
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
GLPBio 10mg 1060.41 Pln
GLPBio 10mM (in 1ml dmso) 793.62 Pln
GLPBio 2mg 676.61 Pln
GLPBio 5mg 845.11 Pln
GLPBio 50mg 2693.90 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(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 (CAS 1201913-82-7) is a chemical compound with the molecular formula C22H28O7 and a molecular weight of 404.5 g/mol. 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. InChIKey: ZXOCGDDVNPDRIW-NHFZGCSJSA-N.

Identity
Molecular formulaC22H28O7
Molecular weight404.5 g/mol
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
InChIKeyZXOCGDDVNPDRIW-NHFZGCSJSA-N
SMILESCCC1=CC=C(C=C1)CC2=CC3=C(CO[C@@]34[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C2.O

Computed by PubChem (NCBI)

Synonyms: tofogliflozin hydrate, Tofogliflozin (hydrate), Tofogliflozin monohydrate, Tofogliflozin [USAN], Tofogliflozin (USAN), Tofogliflozin hydrate (JAN), TOFOGLIFLOZIN HYDRATE [JAN], Tofogliflozin [USAN:INN], Tofogliflozin(CSG 452), Apleway (TN)
Isomers (same molecular formula)
(2R,3R)-2-[(3,4-dimethoxyphenyl)methyl]-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol C22H28O7
2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene C22H28O7
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate C22H28O7
[(1S,8S,11R,12S,13R,17S,18S,19R)-13,17-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-12-yl] acetate C22H28O7
(9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-acetyloxy-2-methylbut-2-enoate C22H28O7
[(3aR,4R,6E,10E,11aR)-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate C22H28O7
[(1S,1'S,3'R,5S,6S,7S,9S)-3'-formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate C22H28O7
5-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptan-3-one C22H28O7
(S)-(3,4-dimethoxyphenyl)-[(3S,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanol C22H28O7
(9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-hydroxy-2-methylbut-2-enoate C22H28O7
(6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-acetyloxy-2-(hydroxymethyl)but-2-enoate C22H28O7
[(1S,2S,3S,5S,8R,9R,11S,13R,14S,15R)-13,14-dihydroxy-16,16-dimethyl-6-methylidene-7-oxo-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-3-yl] acetate C22H28O7

Also listed as

Tofogliflozin (hydrate)/ 98.78% (existing batch purity) TargetMol CAS 1201913-82-7
Tofogliflozin (hydrate) Biosynth CAS 1201913-82-7
Tofogliflozin (hydrate), 98.38% MedChemExpress CAS 1201913-82-7
Tofogliflozin (hydrate), 99% Ambeed CAS 1201913-82-7
Tofogliflozin hydrate, 99% Chemat CAS 1201913-82-7
(1S,3'R,4'S,5'S,6'R)-6-(4-Ethylbenzyl)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[isobenzofuran-1,2'-pyran]-3',4',5'-triol hydrate, 99% BLDpharm CAS 1201913-82-7