Structure

InChI Key YUFWAVFNITUSHI-UHFFFAOYSA-N
Smile N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O
InChI
InChI=1S/C10H22N4.H2O4S/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h1-9H2,(H4,11,12,13);(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H24N4O4S
Molecular Weight 296.39
AlogP 0.53
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 67.64
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
SUBSTRATE Norepinephrine transporter substrate PubMed Wikipedia

Related Entries

Mixture

Cross References

Resources Reference
ChEBI 51016
ChEMBL CHEMBL1345
EPA CompTox DTXSID20110019
FDA SRS 5UBY8Y002G
PubChem 86471
SureChEMBL SCHEMBL51039