Structure

InChI Key CAVQBDOACNULDN-NRCOEFLKSA-N
Smile CN[C@@H](C)[C@@H](O)c1ccccc1.CN[C@@H](C)[C@@H](O)c1ccccc1.O=S(=O)(O)O
InChI
InChI=1S/2C10H15NO.H2O4S/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h2*3-8,10-12H,1-2H3;(H2,1,2,3,4)/t2*8-,10+;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32N2O6S
Molecular Weight 428.55
AlogP 1.33
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 32.26
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Pharmacology

Action Mechanism of Action Reference
RELEASING AGENT Norepinephrine transporter releasing agent ISBN PubMed PubMed Wikipedia Wikipedia Wikipedia Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Seasonal 4 D006255 ClinicalTrials

Related Entries

Parent
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
100.0

Cross References

Resources Reference
ChEMBL CHEMBL3989855
EPA CompTox DTXSID20889379
FDA SRS Y9DL7QPE6B
PubChem 9802673
SureChEMBL SCHEMBL41308