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Chemical structure of MSI-1701

GC31513

MSI-1701

Also known as [(3R,6R)-6-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]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

MSI-1701 is an analogue of MSI-1436 which can control weight gain and blood glucose level extracted from patent US 7410959 B1

ChemicalCAS390808-64-7MW685.06FormulaC37H72N4O5S
CAS number
390808-64-7
Molecular weight
685.06
Formula
C37H72N4O5S
Solubility
Soluble in DMSO
InChIKey
WUJVPODXELZABP-IGYUBHOGSA-N
Catalogue number
GC31513
Brand
GLPBIO
Computed properties PubChem CID 131801115 · XLogP 4.3 · TPSA 154 Ų · H-bond donors 6
XLogP
4.3
TPSA
154 Ų
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
20
Heavy atoms
47

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)NCCCNCCCCNCCCN)C)O)C

Computed descriptors from PubChem (CID 131801115), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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