Structure

InChI Key ASDOKGIIKXGMNB-UHFFFAOYSA-N
Smile O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChI
InChI=1S/C23H16O6.C21H27ClN2O2/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-9,21,25H,10-17H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H43ClN2O8
Molecular Weight 763.29
AlogP 3.06
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 35.94
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist PubMed ISBN

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
13.1
Psychiatric disorders
12.33
Nervous system disorders
11.79
Immune system disorders
11.71
Injury, poisoning and procedural complications
8.48
Investigations
5.84
Skin and subcutaneous tissue disorders
5.66
Respiratory, thoracic and mediastinal disorders
4.99
Gastrointestinal disorders
4.34
Vascular disorders
3.51
Cardiac disorders
3.49
Musculoskeletal and connective tissue disorders
3.2
Metabolism and nutrition disorders
2.44
Infections and infestations
2.02

Cross References

Resources Reference
ChEBI 31680
ChEMBL CHEMBL1200467
FDA SRS M20215MUFR
PubChem 25096
SureChEMBL SCHEMBL41333