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CAS | 320725-47-1 |
Structure | |
Description | Squalamine lactate is an aminosterol compound discovered in the tissues of the dogfish shark. |
Synonyms | Evizon |
IUPAC Name | [(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 |
Molecular Weight | 718 |
Canonical SMILES | CC(C)C(CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCNCCCCN)C)O)C)OS(=O)(=O)O.CC(C(=O)O)O |
InChI | InChI=1S/C34H65N3O5S.C3H6O3/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35;1-2(4)3(5)6/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41);2,4H,1H3,(H,5,6)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-;2-/m10/s1 |
InChI Key | JMNXSNUXDHHTKQ-QVMSTPCGSA-N |
Purity | 95%+ |
Complexity | 1030 |
Covalently-Bonded Unit Count | 2 |
Defined Atom Stereocenter Count | 12 |
Exact Mass | 717.49618741 |
Heavy Atom Count | 49 |
Isomeric 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 |
Monoisotopic Mass | 717.49618741 |
Physical State | Powder |
Storage Conditions | Powder: -20°C for 3 years In solvent: -80°C for 2 years |
Topological Polar Surface Area | 200 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.