CAS 65-28-1|Phentolamine mesilate
| Common Name | Phentolamine mesilate | ||
|---|---|---|---|
| CAS Number | 65-28-1 | Molecular Weight | 377.458 |
| Density | / | Boiling Point | 551ºC at 760 mmHg |
| Molecular Formula | C18H23N3O4S | Melting Point | 180-182 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 287ºC |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | Phentolamine Mesylate |
|---|---|
| Synonym | More Synonyms |
Phentolamine mesilate BiologicalActivity
| Description | Phentolamine mesylate is a competitive, reversible α-adrenoceptor antagonist with an IC50 between 5 and 30 nM. |
|---|---|
| Related Catalog | Signaling 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 Point | 551ºC at 760 mmHg |
|---|---|
| Melting Point | 180-182 °C(lit.) |
| Molecular Formula | C18H23N3O4S |
| Molecular Weight | 377.458 |
| Flash Point | 287ºC |
| Exact Mass | 377.140930 |
| PSA | 110.61000 |
| LogP | 3.18960 |
| InChIKey | OGIYDFVHFQEFKQ-UHFFFAOYSA-N |
| SMILES | CS(=O)(=O)O.Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1 |
| Storage condition | Refrigerator |
| Stability | Aq. Solutions Cannot be Stored |
| Water Solubility | 50 MG/ML |
Toxicological Information
CHEMICAL IDENTIFICATION |
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 Word | Warning |
| Hazard Statements | H302 + H312 + H332-H315-H319-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | 26-36 |
| RIDADR | 3249 |
| WGK Germany | 3 |
| RTECS | SL5430000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2933290090 |
Customs
| HS Code | 2933290090 |
|---|---|
| Summary | 2933290090. 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) |
