ISOMETHEPTENE MUCATE

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Synonyms
Status
Molecule Category Mixture
UNII 8O120FDS6P
EPA CompTox DTXSID8048862

Structure

InChI Key WSXKZIDINJKWPM-IBGZLQDMSA-N
Smiles CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
InChI
InChI=1S/2C9H19N.C6H10O8/c2*1-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*6,9-10H,5,7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14)/t;;1-,2+,3+,4-

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H48N2O8
Molecular Weight 492.65
AlogP 2.34
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 10.0

Cross References

Resources Reference
ChEMBL CHEMBL2355839
FDA SRS 8O120FDS6P
PubChem 15605556
SureChEMBL SCHEMBL94782
CONTENTS