CAS 65-28-1|Phentolamine mesilate

Introduction:Basic information about CAS 65-28-1|Phentolamine mesilate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NamePhentolamine mesilate
CAS Number65-28-1Molecular Weight377.458
Density/Boiling Point551ºC at 760 mmHg
Molecular FormulaC18H23N3O4SMelting Point180-182 °C(lit.)
MSDSChineseUSAFlash Point287ºC
Symbol
GHS07
Signal WordWarning

Names

NamePhentolamine Mesylate
SynonymMore Synonyms

Phentolamine mesilate BiologicalActivity

DescriptionPhentolamine mesylate is a competitive, reversible α-adrenoceptor antagonist with an IC50 between 5 and 30 nM.
Related CatalogSignaling Pathways >>GPCR/G Protein >>Adrenergic ReceptorResearch Areas >>Cardiovascular Disease
References

[1]. Giussani, D.A., et al., Alpha 1- and alpha 2-adrenoreceptor actions of phentolamine and prazosin on breathing movements in fetal sheep in utero. J Physiol, 1995. 486 ( Pt 1): p. 249-55.

[2]. Saeed, M., et al., Alpha-adrenoceptor blockade by phentolamine causes beta-adrenergic vasodilation by increased catecholamine release due to presynaptic alpha-blockade. J Cardiovasc Pharmacol, 1982. 4(1): p. 44-52.

Chemical & Physical Properties

Boiling Point551ºC at 760 mmHg
Melting Point180-182 °C(lit.)
Molecular FormulaC18H23N3O4S
Molecular Weight377.458
Flash Point287ºC
Exact Mass377.140930
PSA110.61000
LogP3.18960
InChIKeyOGIYDFVHFQEFKQ-UHFFFAOYSA-N
SMILESCS(=O)(=O)O.Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
Storage conditionRefrigerator
StabilityAq. Solutions Cannot be Stored
Water Solubility50 MG/ML

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL5430000
CHEMICAL NAME :
Phenol, m-(N-(2-imidazolin-2-ylmethyl)-p-toluidino)-, monomethanesulfonate (salt)
CAS REGISTRY NUMBER :
65-28-1
LAST UPDATED :
199504
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C17-H19-N3-O.C-H4-O3-S
MOLECULAR WEIGHT :
377.50
WISWESSER LINE NOTATION :
T5M CN BUTJ B1NR CQ&R D1 &WSQ1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
275 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,667,1982
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,667,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JNPHAG Journal de Pharmacologie. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1970- Volume(issue)/page/year: 5,101,1974
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,667,1982
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
35 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,667,1982 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
4 mg/kg
SEX/DURATION :
female 22 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 76,415,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6084 No. of Facilities: 26 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1307 (estimated) No. of Female Employees: 664 (estimated)

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH302 + H312 + H332-H315-H319-H335
Precautionary StatementsP261-P280-P305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXn:Harmful;
Risk PhrasesR20/21/22;R36/37/38
Safety Phrases26-36
RIDADR3249
WGK Germany3
RTECSSL5430000
Packaging GroupIII
Hazard Class6.1(b)
HS Code2933290090

Customs

HS Code2933290090
Summary2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles36

More Articles
Developing structure-activity relationships for the prediction of hepatotoxicity.

Chem. Res. Toxicol. 23 , 1215-22, (2010)

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 ...

A predictive ligand-based Bayesian model for human drug-induced liver injury.

Drug Metab. Dispos. 38 , 2302-8, (2010)

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 predicti...

Chemical genetics reveals a complex functional ground state of neural stem cells.

Nat. Chem. Biol. 3(5) , 268-273, (2007)

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 canc...

Synonyms

EINECS 200-604-6
Phenol, 3-[[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]-, methanesulfonate (1:1) (salt)
Phentolamine methanesulfonate salt
2-(m-Hydroxy-N-p-tolylanilinomethyl)-2-imidazoline Monomethanesulfonate (Salt)
3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol methanesulfonate (salt)
Phentolamine methanesulfonate
Phentolamine methanesulphonate
Phentolamine mesylate
2-(N'-p-Tolyl-N'-m-hydroxyphenylaminomethyl)-2-imidazoline Monomethanesulfonate (Salt)
Methansulfonsäure--3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]benzolol(1:1)
2-[N-(m-Hydroxyphenyl)-p-toluidinomethyl]imidazoline Monomethanesulfonate (Salt)
Phentolamine mesilate
Regitine
3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol methanesulfonate (1:1)
3-[[(4,5-Dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]phenol Monomethanesulfonate (Salt)
Rogitine
MFCD00134201
Phentolamine (mesylate)
CAS 4319-49-7|4-Morpholinamine
CAS 1255-49-8|Testosterone Phenylpropionate
Recommended......
TOP