Structure

InChI Key CAVQBDOACNULDN-KHFUBBAMSA-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
AGONIST Adrenergic receptor agonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
16.67
Cardiac disorders
11.11
General disorders and administration site conditions
11.11
Injury, poisoning and procedural complications
11.11
Nervous system disorders
11.11
Immune system disorders
9.26
Pregnancy, puerperium and perinatal conditions
9.26
Gastrointestinal disorders
3.7
Investigations
3.7
Psychiatric disorders
3.7
Skin and subcutaneous tissue disorders
3.7

Cross References

Resources Reference
ChEMBL CHEMBL1523964
EPA CompTox DTXSID6020565
FDA SRS U6X61U5ZEG
PubChem 5359318
SureChEMBL SCHEMBL41262