General Information of the Compound
| Compound ID |
CP0072943
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| Compound Name |
3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol;methanesulfonic acid
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| Synonyms |
2-((N-(m-Hydroxyphenyl)-p-toluidino)methyl)-2-imidazoline
2-(N'-p-Tolyl-N'-m-hydroxyphenylaminomethyl)-2-imidazoline
2-(N-(m-Hydroxyphenyl)-p-toluidinomethyl)imidazoline
2-(m-Hydroxy-N-p-tolylanilinomethyl)-2-imidazoline
3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol
3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol
C 7337
C 7337 Ciba
Dibasin
Fentolamin
Fentolamina
Fentolamina [INN-Spanish]
Phenotolamine
Phentalamine
Phentolamine
Phentolamine (INN)
Phentolamine [INN:BAN]
Phentolamine mesylate [USAN]
Phentolamine methanesulfonate
Phentolamine, methyl sulfonate
Phentolaminum
Phentolaminum [INN-Latin]
Regitin
Regitine
Regitipe
Regityn
Rogitine
Vasomax (TN)
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| Structure |
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| Formula |
C17H19N3O
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| Molecular Weight |
281.359
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| Canonical SMILES |
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
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| InChI |
InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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| InChIKey |
MRBDMNSDAVCSSF-UHFFFAOYSA-N
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| CAS |
50-60-2
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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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT02060, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor
Protein ID: PT02075, Alpha-1D adrenergic receptor
Protein ID: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor
Protein ID: PT00817, Cytochrome P450 2D6
Clinical Information about the Compound