Ipragliflozin L-Proline
(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S)-pyrrolidine-2-carboxylic acid
Molecular Identity
Ipragliflozin L-Proline
(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID: 57339444
2D Structure
Properties
C26H30FNO7S
Molecular Formula
519.60
Molecular Weight
g/mol
519.1727
Exact Mass
Da
168
TPSA
May have limited oral absorption
6
H-Bond Donors
10
H-Bond Acceptors
628
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(NC1)C(=O)O.C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)FIsomeric SMILES
SMILES: C1C[C@H](NC1)C(=O)O.C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)FSynonyms(20)
Ipragliflozin L-prolineIpragliflozin L-proline [JAN]M6N3GK48A4UNII-M6N3GK48A4Ipragliflozin L-proline (JAN)DTXSID20241771IPRAGLIFLOZIN L-PROLINE [MI]IPRAGLIFLOZIN L-PROLINE [WHO-DD](1S)-1,5-Anhydro-1-C-(3-((1-benzothiophen-2-yl)methyl)-4-fluorophenyl)-D-glucitol-(2S)-pyrrolidine-2-carboxylic acid (1:1)(1S)-1,5-Anhydro-1-C-{3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl}-D-glucitol-(2S)-pyrrolidine-2-carboxylic acid (1:1)RefChem:148655DTXCID50164262761423-87-4, Ipragliflozin951382-34-6Ipragliflozin (L-Proline)
Data from PubChem (NCBI)
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