IUPAC name
benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine
SMILES
CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1
Compound class
Antihypertensive Agents; Vasodilator Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Cardiovascular System; Peripheral Vasodilators; CYP3A4 Inhibitors;
Therapeutic area
For the treatment of phaeochromocytoma (malignant), benign prostatic hypertrophy and malignant essential hypertension.
Common name
Phenoxybenzamine
IUPAC name
benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine
SMILES
CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1
INCHI
InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
FORMULA
C18H22ClNO
Common name
Phenoxybenzamine
IUPAC name
benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine
Molecular weight
303.826
clogP
4.351
clogS
-5.136
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
12.47
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF00796 | propoxybenzene |
|
O(CCC)c1ccccc1 | 0.0062 |
| FDBF00913 | phenylmethanamine |
|
NCc1ccccc1 | 0.0086 |
| FDBF01425 | N-methyl-1-phenyl-methanamine |
|
N(C)Cc1ccccc1 | 0.0045 |
| FDBF01799 | N-benzylethanamine |
|
N(CC)Cc1ccccc1 | 0.0024 |
| FDBF02050 | (2R)-2-(methylamino)propan-1-ol |
|
CNC(CO)C | 0.0003 |
| FDBF02052 | 2-chloro-N-ethyl-N-methyl-ethanamine |
|
CN(CCCl)CC | 0.0003 |
| FDBF02053 | N-benzylpropan-2-amine |
|
C(c1ccccc1)NC(C)C | 0.0003 |
31 ,
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