ISOMETHEPTENE MUCATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8O120FDS6P

Structure
InChI Key WSXKZIDINJKWPM-IBGZLQDMSA-N
Smile 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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 10.15

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEMBL CHEMBL2355839
EPA CompTox DTXSID8048862
FDA SRS 8O120FDS6P
PubChem 15605556
SureChEMBL SCHEMBL94782
CONTENTS