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Chemical structure of Squalamine lactate (MSI-1256F)

GC32161

Squalamine lactate (MSI-1256F)

Also known as [(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

Squalamine lactate (MSI-1256F) is an aminosterol compound discovered in the tissues of the dogfish shark, with antimicrobial activity, and used for the treatment of neovascular age-related macular degeneration

ChemicalCAS320725-47-1MW718.04FormulaC37H71N3O8S
CAS number
320725-47-1
Molecular weight
718.04
Formula
C37H71N3O8S
Solubility
DMSO ： ≥ 36·66 mg/mL (51·06 mM)
InChIKey
JMNXSNUXDHHTKQ-QVMSTPCGSA-N
Catalogue number
GC32161
Brand
GLPBIO
Computed properties PubChem CID 3036507 · TPSA 200 Ų · H-bond donors 7 · H-bond acceptors 11
TPSA
200 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
17
Heavy atoms
49

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

Computed descriptors from PubChem (CID 3036507), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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