IPRATROPIUM BROMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1986)
Entry Type: Small molecule
Molecule Category: Salt
ATC: R01AX03
UNII: J697UZ2A9J
Parent Compound: IPRATROPIUM

Structure
InChI Key LHLMOSXCXGLMMN-WDTICOSOSA-M
Smile CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.[Br-]
InChI
InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?;

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32BrNO4
Molecular Weight 430.38
AlogP 2.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M3 antagonist ISBN PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bronchial Spasm 4 D001986 ClinicalTrials
Asthma 4 D001249 ClinicalTrials
Dysautonomia, Familial 3 D004402 ClinicalTrials
Hypertension, Pulmonary 3 D006976 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Sialorrhea 2 D012798 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
21.42
General disorders and administration site conditions
10.34
Cardiac disorders
8.93
Injury, poisoning and procedural complications
7.56
Nervous system disorders
6.82
Gastrointestinal disorders
5.23
Vascular disorders
4.31
Infections and infestations
4.07
Investigations
4.04
Psychiatric disorders
3.62
Skin and subcutaneous tissue disorders
3.55
Immune system disorders
2.99
Musculoskeletal and connective tissue disorders
2.98
Eye disorders
2.38
Product issues
2.3
Metabolism and nutrition disorders
2.13

Cross References

Resources Reference
ChEMBL CHEMBL2134724
EPA CompTox DTXSID3045772
FDA SRS J697UZ2A9J
SureChEMBL SCHEMBL1476937
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