TRIMETHOBENZAMIDE


Synonyms	Ametik damla Trimethobenzamide
Status
Molecule Category	Free-form
ATC	R06AA10
UNII	W2X096QY97
EPA CompTox	DTXSID8023711

Structure


InChI Key	FEZBIKUBAYAZIU-UHFFFAOYSA-N
Smiles	COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC
InChI	InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H28N2O5
Molecular Weight	388.46
AlogP	2.58
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	69.26
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	28.0

Related Entries

Cross References

Resources	Reference
ChEBI	27796
ChEMBL	CHEMBL1201256
DrugBank	DB00662
DrugCentral	2754
FDA SRS	W2X096QY97
Human Metabolome Database	HMDB0014800
Guide to Pharmacology	7614
KEGG	C07178
PharmGKB	PA164764516
PubChem	5577
SureChEMBL	SCHEMBL28858
ZINC	ZINC000000538509

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).