GUSPERIMUS TRIHYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII QZS4144IO0
EPA CompTox DTXSID0048761

Structure

InChI Key AXSPHUWXYSZPBG-UHFFFAOYSA-N
Smiles Cl.Cl.Cl.N=C(N)NCCCCCCC(=O)NC(O)C(=O)NCCCCNCCCN
InChI
InChI=1S/C17H37N7O3.3ClH/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20;;;/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23);3*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H40Cl3N7O3
Molecular Weight 496.91
AlogP -1.31
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 17.0
Polar Surface Area 178.38
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 27.0

Cross References

Resources Reference
ChEBI 31661
ChEMBL CHEMBL2356648
FDA SRS QZS4144IO0
SureChEMBL SCHEMBL317912
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