CLOBUTINOL


Synonyms	Clobutinol Clobutinol hydrochloride Iversal KAT 256 [AS HYDROCHLORIDE] R05DB03
Status
Molecule Category	Free-form
ATC	R05DB03
UNII	1NY2IX043A
EPA CompTox	DTXSID2022838

Structure


InChI Key	KVHHQGIIZCJATJ-UHFFFAOYSA-N
Smiles	CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1
InChI	InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H22ClNO
Molecular Weight	255.79
AlogP	2.83
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	23.47
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	17.0

Cross References

Resources	Reference
ChEBI	94381
ChEMBL	CHEMBL1474889
DrugBank	DB09004
DrugCentral	686
FDA SRS	1NY2IX043A
Human Metabolome Database	HMDB0032216
PubChem	26937
SureChEMBL	SCHEMBL148543

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).