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Pentamidine isethionate

Names

[ CAS No. ]:
140-64-7

[ Name ]:
Pentamidine isethionate

[Synonym ]:
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

Biological Activity

[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 >> Bacterial
Research Areas >> Infection

[Related Small Molecules]

Puromycin 2HCl | Geneticin | Tunicamycin | Hygromycin B | Salinomycin | Avibactam sodium | Neomycin sulfate | Vaborbactam | Methicillin SodiuM | Rifampicin | Metronidazole | Carbenicillin disodium | Ceftazidime | Eravacycline dihydrochloride | cefotaxime sodium

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

[ Storage condition ]:
−20°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CV6500000
CHEMICAL NAME :
Benzamidine, 4,4'-(pentamethylenedioxy)di-, bis(beta-hydroxyethanesulfonate)
CAS REGISTRY NUMBER :
140-64-7
LAST UPDATED :
199603
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C19-H24-N4-O2.C4-H12-O8-S2
MOLECULAR WEIGHT :
592.75
WISWESSER LINE NOTATION :
MUYZR DO5OR DYZUM &WSQ2Q 2

HEALTH HAZARD DATA

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

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)

Synthetic Route

Precursor & DownStream

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