Squalamine Lactate
[(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate;(2S)-2-hydroxypropanoic acid;hydrate
Molecular Identity
Squalamine Lactate
[(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulfate;(2S)-2-hydroxypropanoic acid;hydrate
PubChem CID: 72734342
2D Structure
Properties
C37H73N3O9S
Molecular Formula
736.10
Molecular Weight
g/mol
735.5068
Exact Mass
Da
201
TPSA
May have limited oral absorption
8
H-Bond Donors
12
H-Bond Acceptors
1030
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCNCCCCN)C)O)C)OS(=O)(=O)O.CC(C(=O)O)O.OIsomeric SMILES
SMILES: C[C@H](CC[C@H](C(C)C)OS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCN)C)O)C.C[C@@H](C(=O)O)O.OSynonyms(16)
Squalamine lactate hydrateMSI-1256F4WE915J1KXNSC715056RefChem:932120320725-47-1BB0CTI216ISqualamine LactateSqualamine lactate (USAN)Squalamine lactate [USAN]CHEMBL3989689SCHEMBL29673380SQUALAMINE LACTATE [WHO-DD]D05914Q27260597
Data from PubChem (NCBI)
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Trials and conditions connected to Squalamine Lactate
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