QUINIDINE SULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1962)
Entry Type: Small molecule
Molecule Category: Salt
UNII: J13S2394HE
Parent Compound: QUINIDINE

Structure
InChI Key ZHNFLHYOFXQIOW-AHSOWCEXSA-N
Smile C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O
InChI
InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/m00.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H54N4O10S
Molecular Weight 782.96
AlogP 3.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 45.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 20-20 - - -
Enzyme Phosphatase
- - - - 19
Enzyme
- 20-20 - - 19

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
23.53
Nervous system disorders
15.69
Investigations
14.71
Cardiac disorders
11.76
Injury, poisoning and procedural complications
8.33
Vascular disorders
4.9
Immune system disorders
3.43
Psychiatric disorders
3.43

Cross References

Resources Reference
ChEMBL CHEMBL3707183
FDA SRS J13S2394HE
Guide to Pharmacology 2342
KEGG C06527
PubChem 656862
SureChEMBL SCHEMBL1694350
ZINC ZINC03831405
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