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Chemical structure of Canagliflozin D4

GC39178

Canagliflozin D4

Also known as (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[[5-(2,3,5,6-tetradeuterio-4-fluorophenyl)thiophen-2-yl]methyl]phenyl]oxane-3,4,5-triol

Canagliflozin D4 is a deuterium labeled Canagliflozin

ChemicalCAS1997338-61-0MW448.54FormulaC24H21D4FO5S
CAS number
1997338-61-0
Molecular weight
448.54
Formula
C24H21D4FO5S
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 30 mg/ml
InChIKey
XTNGUQKDFGDXSJ-OQRSEGJPSA-N
Catalogue number
GC39178
Brand
GLPBIO
Computed properties PubChem CID 131708935 · XLogP 3.2 · TPSA 118 Ų · H-bond donors 4
XLogP
3.2
TPSA
118 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31

SMILES [2H]C1=C(C(=C(C(=C1C2=CC=C(S2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)[2H])[2H])F)[2H]

Computed descriptors from PubChem (CID 131708935), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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