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Chemical structure of Velagliflozin proline hydrate

GC74833

Velagliflozin proline hydrate

Also known as 2-[(4-cyclopropylphenyl)methyl]-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzonitrile;(2S)-pyrrolidine-2-carboxylic acid;hydrate

Velagliflozin proline hydrate is the clinical form of Velagliflozin

ChemicalCAS1661838-94-3MW528.59FormulaC28H36N2O8
CAS number
1661838-94-3
Molecular weight
528.59
Formula
C28H36N2O8
Solubility
DMSO: 200 mg/mL (378·37 mM; Need ultrasonic)
InChIKey
SSNUQDYITAZVPB-YAKUHWJSSA-N
Catalogue number
GC74833
Brand
GLPBIO
Computed properties PubChem CID 156337572 · TPSA 164 Ų · H-bond donors 7 · H-bond acceptors 10
TPSA
164 Ų
H-bond donors
7
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
38

SMILES C1C[C@H](NC1)C(=O)O.C1CC1C2=CC=C(C=C2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C#N.O

Computed descriptors from PubChem (CID 156337572), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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