ANISOTROPINE

Search structure
Synonyms:
Status: Approved (1962)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 704G17JK68

Structure
InChI Key XGGHHHBGPSNXFE-ZSHCYNCHSA-N
Smile CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C
InChI
InChI=1S/C17H32NO2/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4/h13-16H,5-12H2,1-4H3/q+1/t14-,15+,16+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H32NO2+
Molecular Weight 282.45
AlogP 3.52
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEMBL CHEMBL1186610
DrugCentral 223
FDA SRS 704G17JK68
ZINC ZINC000100036830
CONTENTS