CAS 140-64-7|Pentamidine isethionate

Introduction:Basic information about CAS 140-64-7|Pentamidine isethionate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NamePentamidine isethionate
CAS Number140-64-7Molecular Weight592.683
Density/Boiling Point539.4ºC at 760mmHg
Molecular FormulaC23H36N4O10S2Melting Point188-194 °C(lit.)
MSDSChineseUSAFlash Point280ºC
Symbol
GHS07
Signal WordWarning

Names

Namepentamidine isethionate
SynonymMore Synonyms

Pentamidine isethionate BiologicalActivity

DescriptionPentamidine isethionate is an antimicrobial agent for prevention and treatment of Pneumocystis pneumonia (PCP) caused by Pneumocystis jirovecii.
Related CatalogSignaling Pathways >>Anti-infection >>BacterialResearch Areas >>Infection

Chemical & Physical Properties

Boiling Point539.4ºC at 760mmHg
Melting Point188-194 °C(lit.)
Molecular FormulaC23H36N4O10S2
Molecular Weight592.683
Flash Point280ºC
Exact Mass592.187256
PSA284.16000
LogP4.37750
Vapour Pressure1.06E-11mmHg at 25°C
InChIKeyYBVNFKZSMZGRAD-UHFFFAOYSA-N
SMILESN=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

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 WordWarning
Hazard StatementsH315-H317-H319-H335
Precautionary StatementsP261-P280-P305 + P351 + P338
Hazard CodesXi:Irritant;
Risk PhrasesR36/37/38;R43
Safety PhrasesS26-S36/37
RIDADR3249
WGK Germany3
RTECSCV6500000
Packaging GroupIII
Hazard Class6.1(b)

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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
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