Details of the Drug

General Information of Drug (ID: DMIJRF0)

Drug Name

Anisotropine Methylbromide

Synonyms

Anisotropine; Endovalpin; Lytispasm; Valpin; Anisotropine methobromide; Anisotropine methyl bromide;Methyloctatropine bromide; Metilbromuro de octatropina; Octatropine methylbromide; Octatropini methylbromidum; Octatropone Bromide; Valpin 50; Anisotropine methylbromide (USAN); Anisotropine methylbromide [USAN:JAN]; Endovalpin (TN); Lytispasm (TN); Methylbromure d'octatropine; Methyloctatropine bromide (JAN); Metilbromuro de octatropina [INN-Spanish]; Octatropine methylbromide (INN); Octatropinimethylbromidum [INN-Latin]; Valpin (TN); Valpin 50 (TN); Methylbromure d'octatropine [INN-French]; Anisotropine methylbromide, (endo)-isomer; [(1R,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate bromide; [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate bromide; Endo-8,8-Dimethyl-3-((1-oxo-2-propylpentyl)oxy)-8-azoniabicyclo(3.2.1)octane bromide; (1r,5r)-8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide; (3-endo)-8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide; 1-alpha-H,5-alpha-H-Tropanium,3-alpha-hydroxy-8-methyl-, bromide, 2-propylvalerate; 1alphaH,5alphaH-Tropanium, 3alpha-hydroxy-8-methyl-, bromide, 2-propylvalerate; 2-Propylpentanoyltropinium methylbromide; 3-alpha-Hydroxy-8-methyl-1-alpha-H,5-alpha-H-tropanium bromide 2-propylvalerate; 3alpha-Hydroxy-8-methyl-1alphaH,5alphaH-tropanium bromide 2-propylvalerate; 8,8-dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane bromide; 8-Methyl-3-(2-propylpentanoyloxy)tropinium bromide; 8-Methyltropinium bromide 2-propylpentanoate; 8-Methyltropinium bromide 2-propylvalerate

Indication

Disease Entry	ICD 11	Status	REF
Gastric ulcer	DA60	Approved	[1]
Peptic ulcer	DA61	Approved	[2]
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Therapeutic Class

Anticholinergic Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

362.3

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

ADMET Property

Metabolism: The drug is metabolized via the hepatic []

Chemical Identifiers

Formula: C17H32BrNO2
IUPAC Name: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-propylpentanoate;bromide
Canonical SMILES: CCCC(CCC)C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C.[Br-]
InChI: InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,16?;
InChIKey: QSFKGMJOKUZAJM-JXMYBXCISA-M

Cross-matching ID

PubChem CID: 657201
CAS Number: 80-50-2
DrugBank ID: DB00517
TTD ID: D07CNL

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M5 (CHRM5)	TTH18TF	ACM5_HUMAN	Binder	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Anisotropine Methylbromide FDA Label
2	FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 013428.
3	Anisotropine methylbromide: a new antispasmodic for gastrointestinal disorders. Curr Ther Res Clin Exp. 1963 May;5:213-8.