METHANTHELINE BROMIDE

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Trade Names:
Synonyms:
Status: Approved (1951)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 090519SAPF

Structure
InChI Key PQMWYJDJHJQZDE-UHFFFAOYSA-M
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Histamine H2 receptor antagonist PubMed

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEBI 6818
ChEMBL CHEMBL1200988
EPA CompTox DTXSID7023277
FDA SRS 090519SAPF
PubChem 5883
SureChEMBL SCHEMBL250100
CONTENTS