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Merck
CN

P131

Sigma-Aldrich

Phentolamine methanesulfonate salt

Synonym(s):

2-(N-[m-Hydroxyphenyl]-p-toluidinomethyl)imidazoline

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About This Item

Linear Formula:
C17H19N3O · CH3SO3H
CAS Number:
65-28-1
Molecular Weight:
377.46
EC Number:
200-604-6
MDL number:
MFCD00134201
UNSPSC Code:
12352200
PubChem Substance ID:
24898184

Key Documents

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technique(s)

HPLC: suitable
gas chromatography (GC): suitable

mp

180-182 °C (lit.)

application(s)

forensics and toxicology
veterinary

SMILES string

CS(O)(=O)=O.Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3

InChI

1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)

InChI key

OGIYDFVHFQEFKQ-UHFFFAOYSA-N

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Biochem/physiol Actions

α-Adrenergic receptor antagonist; peripheral vasodilator.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Jing Yuan et al.
Nature chemical biology, 5(10), 765-771 (2009-09-08)
Studies of gene function and molecular mechanisms in Plasmodium falciparum are hampered by difficulties in characterizing and measuring phenotypic differences between individual parasites. We screened seven parasite lines for differences in responses to 1,279 bioactive chemicals. Hundreds of compounds were
Sean Ekins et al.
Drug metabolism and disposition: the biological fate of chemicals, 38(12), 2302-2308 (2010-09-17)
Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predictive in vivo, in vitro, and in silico models to identify compounds
Nigel Greene et al.
Chemical research in toxicology, 23(7), 1215-1222 (2010-06-18)
Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals can make a significant contribution to the identification of potential
Phedias Diamandis et al.
Nature chemical biology, 3(5), 268-273 (2007-04-10)
The identification of self-renewing and multipotent neural stem cells (NSCs) in the mammalian brain holds promise for the treatment of neurological diseases and has yielded new insight into brain cancer. However, the complete repertoire of signaling pathways that governs the

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