CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCN)CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O.C[C@H](O)C(=O)O

Название: squalamine lactate

IUPAC: [(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

SMILES:

CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCN)CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O.C[C@H](O)C(=O)O

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

Молекулярная формула: C37H71N3O8S

Молекулярная масса: 718.00

InChIKey: JMNXSNUXDHHTKQ-QVMSTPCGSA-N

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

PubChem CID: 3036507 →

Синонимы

[(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 acidUNII-BB0CTI216ISqualaminelactateMSI 1256Fsqualamine L-lactateSQUALAMINE MONOLACTATEorb1708467C37H71N3O8SDTXSID40953945JMNXSNUXDHHTKQ-QVMSTPCGSA-NSQUALAMINE LACTATE ANHYDROUSMFCD22665759AKOS040739038SQUALAMINE MONOLACTATE ANHYDROUSCS-7930DA-58061HY-16467MS-31221F85580T12996Q27274574(2S)-2-Hydroxypropanoic acid--(24R)-3beta-({3-[(4-aminobutyl)amino]propyl}amino)-7alpha-hydroxy-5alpha-cholestan-24-yl hydrogen sulfate (1/1)[(1R,4R)-4-[(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]-1-isopropyl-pentyl] hydrogen sulfate;(2S)-2-hydroxypropanoic acid2-Hydroxypropanoic acid--3-({3-[(4-aminobutyl)amino]propyl}amino)-7-hydroxycholestan-24-yl hydrogen sulfate (1/1)CHOLESTANE-7,24-DIOL, 3-((3-((4-AMINOBUTYL)AMINO)PROPYL)AMINO)-, 24-(HYDROGEN SULFATE), (3.BETA.,5.ALPHA.,7.ALPHA.,24R)-, (2S)-2-HYDROXYPROPANOATE (1:1)Cholestane-7,24-diol, 3-((3-((4-aminobutyl)amino)propyl)amino)-, 24-(hydrogen sulfate), (3beta,5alpha,7alpha,24R)-, (2S)-2-hydroxypropanoate (salt)

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