CYCLOPENTOLATE


Synonyms	Bell pentolate Cyclopentolate
Status
Molecule Category	Free-form
ATC	S01FA04
UNII	I76F4SHP7J
EPA CompTox	DTXSID3048528


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

Structure


InChI Key	SKYSRIRYMSLOIN-UHFFFAOYSA-N
Smiles	CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1
InChI	InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H25NO3
Molecular Weight	291.39
AlogP	2.18
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	49.77
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	21.0

Related Entries

Cross References

Resources	Reference
ChEBI	4024
ChEMBL	CHEMBL1201338
DrugBank	DB00979
DrugCentral	757
FDA SRS	I76F4SHP7J
Human Metabolome Database	HMDB0015114
Guide to Pharmacology	7153
KEGG	C06932
PharmGKB	PA164743019
PubChem	2905
SureChEMBL	SCHEMBL132500

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).