Structure

InChI Key PYHRZPFZZDCOPH-QXGOIDDHSA-N
Smile C[C@H](N)Cc1ccccc1.C[C@H](N)Cc1ccccc1.O=S(=O)(O)O
InChI
InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)/t2*8-;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H28N2O4S
Molecular Weight 368.5
AlogP 1.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.02
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
RELEASING AGENT Dopamine transporter releasing agent PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
20.1
Nervous system disorders
17.7
Psychiatric disorders
17.63
Gastrointestinal disorders
8.35
Injury, poisoning and procedural complications
6.0
Vascular disorders
3.84
Product issues
3.75
Skin and subcutaneous tissue disorders
3.63
Investigations
3.47
Musculoskeletal and connective tissue disorders
2.84
Cardiac disorders
2.81
Respiratory, thoracic and mediastinal disorders
2.02

Cross References

Resources Reference
ChEBI 51064
ChEMBL CHEMBL3544971
FDA SRS JJ768O327N
PubChem 5825
SureChEMBL SCHEMBL18948