CLEMASTINE FUMARATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1977)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 19259EGQ3D

Structure
InChI Key PMGQWSIVQFOFOQ-YKVZVUFRSA-N
Smile CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30ClNO5
Molecular Weight 459.97
AlogP 5.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist ISBN

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypersensitivity 1 D006967 ClinicalTrials
Multiple Sclerosis 1 D009103 ClinicalTrials

Related Entries

Scaffolds

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
14.54
Nervous system disorders
10.6
Injury, poisoning and procedural complications
8.7
Skin and subcutaneous tissue disorders
7.74
Respiratory, thoracic and mediastinal disorders
7.61
Cardiac disorders
6.93
Immune system disorders
6.25
Vascular disorders
5.98
Gastrointestinal disorders
5.84
Psychiatric disorders
5.84
Investigations
3.8
Infections and infestations
3.53
Musculoskeletal and connective tissue disorders
3.26
Metabolism and nutrition disorders
2.99

Cross References

Resources Reference
ChEBI 3739
ChEMBL CHEMBL1200795
EPA CompTox DTXSID6047785
FDA SRS 19259EGQ3D
PubChem 5281069
SureChEMBL SCHEMBL33403
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