Betanidine

Modify Date: 2025-08-22 20:05:29

Betanidine Structure
Betanidine structure
Common Name Betanidine
CAS Number 55-73-2 Molecular Weight 177.24600
Density 0.99g/cm3 Boiling Point 282.1ºC at 760 mmHg
Molecular Formula C10H15N3 Melting Point 195-197°
MSDS N/A Flash Point 124.4ºC

 Names

Name bethanidine
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.99g/cm3
Boiling Point 282.1ºC at 760 mmHg
Melting Point 195-197°
Molecular Formula C10H15N3
Molecular Weight 177.24600
Flash Point 124.4ºC
Exact Mass 177.12700
PSA 36.42000
LogP 1.76320
Index of Refraction 1.53
InChIKey NIVZHWNOUVJHKV-UHFFFAOYSA-N
SMILES CN=C(NC)NCc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ME8570000
CHEMICAL NAME :
Guanidine, 2-benzyl-1,3-dimethyl-
CAS REGISTRY NUMBER :
55-73-2
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H15-N3
MOLECULAR WEIGHT :
177.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
16307 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 12,229,1963

 BetanidineBioassay

View more

Name: Compound was evaluated for inhibition of rat Gabra1 in an in vitro assay with cellula...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit alpha-1
External Id: CHEMBL5291801
Name: Agonist activity at human GABRA1 in an in vitro cell-based assay measured by fluoresc...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit gamma-2
External Id: CHEMBL5291796
Name: Antagonist activity at human GABRA1 in an in vitro cell-based assay measured by fluor...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit gamma-2
External Id: CHEMBL5291797
Name: Binding affinity towards human ESR1 in an in vitro cell free assay (NIBR assay) measu...
Source: ChEMBL
Target: Estrogen receptor
External Id: CHEMBL5291791
Name: Binding affinity towards human HRH3 in an in vitro assay with cellular components mea...
Source: ChEMBL
Target: Histamine H3 receptor
External Id: CHEMBL5291921
Name: Binding affinity towards human EDNRA in an in vitro assay with cellular components me...
Source: ChEMBL
Target: Endothelin-1 receptor
External Id: CHEMBL5291785
Name: Binding affinity towards human DRD2 in an in vitro assay with cellular components mea...
Source: ChEMBL
Target: D(2) dopamine receptor
External Id: CHEMBL5291781
Name: Agonist activity at human DRD1 in an in vitro cell-based assay measured by time-resol...
Source: ChEMBL
Target: D(1A) dopamine receptor
External Id: CHEMBL5291777
Name: Antagonist activity at human CNR1 in an in vitro cell-based assay measured by fluores...
Source: ChEMBL
Target: Cannabinoid receptor 1
External Id: CHEMBL5291772
Name: Binding affinity towards human DRD3 in an in vitro assay with cellular components mea...
Source: ChEMBL
Target: D(3) dopamine receptor
External Id: CHEMBL5291899
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 Synonyms

1-Benzyl-2,3-dimethylguanidine
Bethanidine
BETANIDIN
Betanidine
2-benzyl-1,3-diMethylguanidine
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