Details of the Drug

General Information of Drug (ID: DMJMHNL)

Drug Name

Bethanidine

Synonyms

Betanidina; Betanidine; Betanidinum; Betanidole; Bethanid; Esbatal; Regulin; Tenathan; Bethanidine hemisulfate; Bethanidinesulfate; BW 467C60; BW467C60; Betanidina [INN-Spanish]; Betanidine [INN:BAN]; Betanidinum [INN-Latin]; Esbatal (TN); Regulin (TN); Tenathan (TN); Bethanidine Sulfate (2:1); Ulfate (2:1); BW-467-C-60;Bethanidine Sulfate (2:1) (USAN); Bethanidine, Sulfate (2:1); Guanidine, 1-benzyl-2,3-dimethyl-(8CI); Guanidine, 1-benzyl-2,3-dimethyl-, s; N-Benzyl-N',N''-dimethylguanidine sulfate; N,N'-dimethyl-N''-(phenylmethyl)-guanidine; Sulfuric acid compound with N''-benzyl-N,N'-dimethylguanidine (1:1); Guanidine, N, N'-dimethyl-N''-(phenylmethyl)-, sulfate (2:1); 1,2-dimethyl-3-(phenylmethyl)guanidine; 1-BENZYL-2,3-DIMETHYLGUANIDINE; 1-Benzyl-2,3-dimethylguanidine sulfate; 1-Benzyl-2,3-dimethylguanidine sulfate (1:1/2); 1-Benzyl-2,3-dimethylguanidinium sulfate; 2-Benzyl-1,3-dimethylguanidine

Indication

Disease Entry	ICD 11	Status	REF
Heart arrhythmia	BC65	Withdrawn from market	[1]
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Therapeutic Class

Antihypertensive Agents

Affected Organisms

Humans and other mammals

ATC Code

C02CC01: Bethanidine

C02CC: Guanidine derivatives

C02C: ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING

C02: ANTIHYPERTENSIVES

C: CARDIOVASCULAR SYSTEM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

177.25

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The drug is rapidly absorbed from the gastrointestinal tract []
Half-life: The concentration or amount of drug in body reduced by one-half in 9 (range 7 - 11) hours [2]

Chemical Identifiers

Formula: C10H15N3
IUPAC Name: 1-benzyl-2,3-dimethylguanidine
Canonical SMILES: CNC(=NC)NCC1=CC=CC=C1
InChI: InChI=1S/C10H15N3/c1-11-10(12-2)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,11,12,13)
InChIKey: NIVZHWNOUVJHKV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2368
ChEBI ID: CHEBI:37937
CAS Number: 55-73-2
UNII: W8S3YM7AUU
DrugBank ID: DB00217
TTD ID: D0JP4H

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-1 (ADRB1)	TTR6W5O	ADRB1_HUMAN	Antagonist	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	FDA Approved Drug Products from FDA Official Website. 1981. Application Number: (ANDA) 008102.
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	Withdrawal syndromes and the cessation of antihypertensive therapy. Arch Intern Med. 1981 Aug;141(9):1125-7.