CAS 140-64-7|Pentamidine isethionate
| Common Name | Pentamidine isethionate | ||
|---|---|---|---|
| CAS Number | 140-64-7 | Molecular Weight | 592.683 |
| Density | / | Boiling Point | 539.4ºC at 760mmHg |
| Molecular Formula | C23H36N4O10S2 | Melting Point | 188-194 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 280ºC |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | pentamidine isethionate |
|---|---|
| Synonym | More Synonyms |
Pentamidine isethionate BiologicalActivity
| Description | Pentamidine isethionate is an antimicrobial agent for prevention and treatment of Pneumocystis pneumonia (PCP) caused by Pneumocystis jirovecii. |
|---|---|
| Related Catalog | Signaling Pathways >>Anti-infection >>BacterialResearch Areas >>Infection |
Chemical & Physical Properties
| Boiling Point | 539.4ºC at 760mmHg |
|---|---|
| Melting Point | 188-194 °C(lit.) |
| Molecular Formula | C23H36N4O10S2 |
| Molecular Weight | 592.683 |
| Flash Point | 280ºC |
| Exact Mass | 592.187256 |
| PSA | 284.16000 |
| LogP | 4.37750 |
| Vapour Pressure | 1.06E-11mmHg at 25°C |
| InChIKey | YBVNFKZSMZGRAD-UHFFFAOYSA-N |
| SMILES | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO |
| Storage condition | −20°C |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 21429 ug/kg/5D-I
- TOXIC EFFECTS :
- Endocrine - hypoglycemia Skin and Appendages - sweating
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 24 mg/kg/6D-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - hematuria
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 68 mg/kg/17D-I
- TOXIC EFFECTS :
- Gastrointestinal - changes in structure or function of endocrine pancreas
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Human - woman
- DOSE/DURATION :
- 6 mg/kg/D
- TOXIC EFFECTS :
- Blood - hemorrhage Skin and Appendages - dermatitis, other (after systemic exposure)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 26 mg/kg/9D-I
- TOXIC EFFECTS :
- Endocrine - hypoglycemia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 63 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 15100 ug/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 756 mg/kg/6W-I
- TOXIC EFFECTS :
- Gastrointestinal - changes in structure or function of endocrine pancreas Liver - changes in liver weight Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 112 mg/kg/2W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- DOSE :
- 24 mg/kg
- SEX/DURATION :
- female 6-11 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
MUTATION DATA - TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Rodent - mouse Leukocyte
- DOSE/DURATION :
- 29500 ug/L
- REFERENCE :
- INNDDK Investigational New Drugs. The Journal of New Anticancer Agents. Kluwer Academic Pub., POB 358, Accord Stn., Hingham, MA 02018) V.1- 1983- Volume(issue)/page/year: 1,103,1983
- TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Rodent - mouse Leukocyte
- DOSE/DURATION :
- 29500 ug/L
- REFERENCE :
- INNDDK Investigational New Drugs. The Journal of New Anticancer Agents. Kluwer Academic Pub., POB 358, Accord Stn., Hingham, MA 02018) V.1- 1983- Volume(issue)/page/year: 1,103,1983
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H317-H319-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38;R43 |
| Safety Phrases | S26-S36/37 |
| RIDADR | 3249 |
| WGK Germany | 3 |
| RTECS | CV6500000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
Articles3
More Articles| Specific Cell Targeting Therapy Bypasses Drug Resistance Mechanisms in African Trypanosomiasis. PLoS Pathog. 11 , e1004942, (2015) African trypanosomiasis is a deadly neglected disease caused by the extracellular parasite Trypanosoma brucei. Current therapies are characterized by high drug toxicity and increasing drug resistance ... | |
| Anti-leishmanial lindenane sesquiterpenes from Hedyosmum angustifolium. Planta Med. 76 , 365-8, (2010) The aim of this work is the isolation of anti-leishmanial compounds from the ethyl acetate extracts of the bark of HEDYOSMUM ANGUSTIFOLIUM. We have successfully isolated and characterized five sesquit... | |
| Pentamidine is an N-methyl-D-aspartate receptor antagonist and is neuroprotective in vitro. J. Neurosci. 12 , 970, (1992) Acquired immunodeficiency syndrome (AIDS) is frequently associated with dementia. The wide spectrum of neurological abnormalities associated with this dementia may involve a neurotoxin that activates ... |
Synonyms
| 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide bis(2-hydroxyethanesulfonic acid) |
| 2-Hydroxyethanesulfonic Acid compd. with 4,4'-(1,5-Pentanediylbis(oxy))bis(benzenecarboximidamide) (2:1) |
| 2-Hydroxyethanesulfonic acid - 4,4'-[1,5-pentanediylbis(oxy)]dibenzenecarboximidamide (2:1) |
| Pentamidine isethionate salt |
| 2-Hydroxyethanesulfonic acid - 4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide (2:1) |
| 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate) |
| MFCD00079213 |
| Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4'-[1,5-pentanediylbis(oxy)]bis[benzenecarboximidamide] (2:1) |
| EINECS 205-424-1 |
| Pentamidine isethionate |
| 4,4'-Diamidino-a,w-diphenoxypentane Isethionate |
| 4,4′-(Pentamethylenedioxy)dibenzamidine bis(2-hydroxyethanesulfonate) |
| Pentamidine diisetionate |
