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Related CAS#:
140-64-7 50357-45-4
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113170-86-8 140-63-6
126268-81-3 57267-78-4

140-64-7

140-64-7 structure
140-64-7 structure
Name pentamidine isethionate
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
Description Pentamidine isethionate is an antimicrobial agent for prevention and treatment of Pneumocystis pneumonia (PCP) caused by Pneumocystis jirovecii.
Related Catalog
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

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
Symbol GHS07
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)
1252-44-4 structure

1252-44-4
57267-78-4 structure

57267-78-4

~83%

140-64-7 structure

140-64-7
Literature: Nandi, Gopa; Mukherjee, S.; Basu, M. K.; Mahato, Shashi B. Journal of the Indian Chemical Society, 1993 , vol. 70, # 6 p. 527 - 532
Precursor  2

DownStream  0


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