BENZONATATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1958)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R05DB01
UNII: 5P4DHS6ENR

Structure
InChI Key MAFMQEKGGFWBAB-UHFFFAOYSA-N
Smile CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1
InChI
InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H53NO11
Molecular Weight 603.75
AlogP 2.83
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 32.0
Polar Surface Area 121.4
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 42.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Slowly adapting pulmonary stretch receptor inhibitor PubMed PubMed PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
13.87
Respiratory, thoracic and mediastinal disorders
13.68
General disorders and administration site conditions
12.66
Nervous system disorders
11.82
Cardiac disorders
7.82
Injury, poisoning and procedural complications
6.05
Psychiatric disorders
5.82
Gastrointestinal disorders
5.26
Musculoskeletal and connective tissue disorders
5.03
Vascular disorders
3.21
Metabolism and nutrition disorders
2.93
Infections and infestations
2.51
Skin and subcutaneous tissue disorders
2.28

Cross References

Resources Reference
CAS NUMBER 104-31-4
ChEBI 3032
ChEMBL CHEMBL1374379
DrugBank DB00868
EPA CompTox DTXSID9022655
FDA SRS 5P4DHS6ENR
Human Metabolome Database HMDB0015006
Guide to Pharmacology 7611
PharmGKB PA164745459
SureChEMBL SCHEMBL28366
ZINC ZINC000003830276
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