General Information of the Compound
| Compound ID |
CP0134865
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| Compound Name |
Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)-amine
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| Synonyms |
2-(N-Benzyl-2-chloroethylamino)-1-phenoxypropane
688A
A 688
Bensylyt
Bensylyt NEN
Bensylyte
Benzyl(2-chloroethyl)-(1-methyl-2-phenoxyethyl)amine
Benzylyt
Dibenylene
Dibenylin
Dibenyline
Dibenziran
Dibenzylene
Dibenzylin
Dibenzyline (TN)
Dibenzyran
Fenossibenzamina
Fenossibenzamina [DCIT]
Fenoxibenzamina
Fenoxibenzamina [INN-Spanish]
N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzenemethanamine
N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine
N-(2-chloroethyl)-N-(phenylmethyl)-1-(phenyloxy)propan-2-amine
N-Phenoxyisopropyl-N-benzyl-beta-chloroethylamine
N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine
POB HCl
Phenoxybenzamine
Phenoxybenzamine (INN);Phenoxybenzamine [INN:BAN]
Phenoxybenzamine Hcl
Phenoxybenzaminum
Phenoxybenzaminum [INN-Latin]
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| Structure |
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| Formula |
C18H22ClNO
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| Molecular Weight |
303.833
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| Canonical SMILES |
CC(COc1ccccc1)N(CCCl)Cc1ccccc1
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| 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
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| InChIKey |
QZVCTJOXCFMACW-UHFFFAOYSA-N
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| CAS |
59-96-1
102737-84-8
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03795, Solute carrier family 22 member 1
Protein ID: PT04591, Solute carrier family 22 member 2
Protein ID: PT06607, Solute carrier family 22 member 3
Clinical Information about the Compound