IUPAC name
(E)-3-benzyl-1,2-dimethylguanidine
SMILES
CN\C(NCC1=CC=CC=C1)=N/C
Compound class
Antihypertensive Agents; Adrenergic Agents; Sympatholytics; Cardiovascular System; Guanidine Derivatives; Antiadrenergic Agents, Peripherally Acting; Alpha2 Agonists;
Therapeutic area
For the treatment of hypertension.
Common name
Bethanidine
IUPAC name
(E)-3-benzyl-1,2-dimethylguanidine
SMILES
CN\C(NCC1=CC=CC=C1)=N/C
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)
FORMULA
C10H15N3
Common name
Bethanidine
IUPAC name
(E)-3-benzyl-1,2-dimethylguanidine
Molecular weight
177.246
clogP
1.592
clogS
-3.014
HBond Acceptor
1
HBond Donor
2
Total Polar Surface Area
36.42
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00385 | N,N'-dimethylformamidine |
|
N(C=NC)C | 0.0014 |
| FDBF00386 | 1,3-dimethylguanidine |
|
N=C(NC)NC | 0.0003 |
| FDBF00387 | 1,2,3-trimethylguanidine |
|
N(=C(NC)NC)C | 0.0003 |
| FDBF00388 | N-benzyl-N'-methyl-formamidine |
|
N(C=NC)Cc1ccccc1 | 0.0003 |
| FDBF00389 | N'-methylformamidine |
|
NC=NC | 0.0024 |
7 ,
1
