ISOMETHEPTENE MUCATE

Search structure


Synonyms:	Isometheptene mucate Midrid Octin mucate
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/c21-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h26,9-10H,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

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