BENZONATATE


Trade Names	BENZONATATE TESSALON
Synonyms	Benzonatate NSC-760128 Tessalon
Status
Molecule Category	Free-form
ATC	R05DB01
UNII	5P4DHS6ENR
EPA CompTox	DTXSID9022655


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	MAFMQEKGGFWBAB-UHFFFAOYSA-N
Smiles	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

Bioactivity

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

Cross References

Resources	Reference
ChEBI	3032
ChEMBL	CHEMBL1374379
DrugBank	DB00868
FDA SRS	5P4DHS6ENR
Human Metabolome Database	HMDB0015006
Guide to Pharmacology	7611
PharmGKB	PA164745459
SureChEMBL	SCHEMBL28366
ZINC	ZINC000003830276

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).