METHANTHELINE BROMIDE


Trade Names	BANTHINE
Synonyms	Banthine Dixamone bromide Methantheline bromide Methanthelinium bromide NSC-32145 Vagantin
Status
Molecule Category	Salt
UNII	090519SAPF
EPA CompTox	DTXSID7023277


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

Structure


InChI Key	PQMWYJDJHJQZDE-UHFFFAOYSA-M
Smiles	CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21.[Br-]
InChI	InChI=1S/C21H26NO3.BrH/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20;/h6-13,20H,4-5,14-15H2,1-3H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H26BrNO3
Molecular Weight	420.35
AlogP	3.95
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	6.0
Polar Surface Area	35.53
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	25.0

Pharmacology

Mechanism of Action	Action	Reference
Histamine H2 receptor antagonist	ANTAGONIST	PubMed


Protein: Histamine H2 receptor Description: Histamine H2 receptor Organism : Homo sapiens P25021 ENSG00000113749

Cross References

Resources	Reference
ChEBI	6818
ChEMBL	CHEMBL1200988
FDA SRS	090519SAPF
PubChem	5883
SureChEMBL	SCHEMBL250100

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).