CAS Number100-33-4
Synonyms4,4'-[Pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide; 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide; pentamidine; EINECS 202-841-0; 4,4'-[1,5-Pentanediylbis(oxy)]dibenzenecarboximidamide
Molecular FormulaC19H24O2N4
Molecular Weight340.43
Purity98.00%
Density1.2±0.1 g/cm3
Boiling Point539.4±60.0 °C at 760 mmHg
Melting Point186ºC (dec.)
Appearanceorange solid
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 100-33-4 |
| Catalog No. | 2A-9011922 |
| Chinese Name | 喷他脒 |
| Synonyms | 4,4'-[Pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide; 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide; pentamidine; EINECS 202-841-0; 4,4'-[1,5-Pentanediylbis(oxy)]dibenzenecarboximidamide |
| Molecular Formula | C19H24O2N4 |
| Molecular Weight | 340.43 |
| Purity | 98.00 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 539.4±60.0 °C at 760 mmHg |
| Melting Point | 186ºC (dec.) |
| Appearance | orange solid |
| Storage Condition | -20°C Freezer, Under Inert Atmosphere |
| Packaging | III |
| Application | Pentamidine (MP-601205) is an antibiotic. |
| HTC | 2925290090 |
| MDL Number | MFCD00599574 |
| SMILES | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 |
| InChI | InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23) |
| InChI Key | XDRYMKDFEDOLFX-UHFFFAOYSA-N |
| Hazard Symbols | 6.1(b) |
| MSDS | msds/11922_1_100_33_4.pdf |
| Use of | Properties Name pentamidine Synonym More Synonyms Pentamidine Biological Activity Related Catalog Signaling Pathways >> Anti-infection >> Parasite Research Areas >> Infection References [1]. Nguewa, P.A., et al., Pentamidine is an antiparasitic and apoptotic drug that selectively modifies ubiquitin. Chem Biodivers, 2005. 2(10): p. 1387-400. [2]. Pathak, M.K., et al., Pentamidine is an inhibitor of PRL phosphatases with anticancer activity. Mol Cancer Ther, 2002. 1(14): p. 1255-64. Chemical & Physical Properties Molecular Formula C19H24N4O2 Exact Mass 340.189911 PSA 118.20000 Index of Refraction 1.593 InChIKey XDRYMKDFEDOLFX-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Benzamidine, 4,4'-(pentamethylenedioxy)di- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C19-H24-N4-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : MUYZR DO5OR DYZUM HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Nutritional and Gross Metabolic - body temperature increase REFERENCE : AIMDAP Archives of Internal Medicine. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1908- Volume(issue)/page/year: 145,2247,1985 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Human - man DOSE/DURATION : TOXIC EFFECTS : Behavioral - general anesthetic Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature increase REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 246,338,1944 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Human - woman DOSE/DURATION : TOXIC EFFECTS : Endocrine - hypoglycemia REFERENCE : AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 99,128,1983 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,794,1975 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BSCFAS Bulletin de la Societe Chimique de France. (CDR-Centrale des Revues, 11, rue Gossin, F-92543 Montrouge Cedex, France) V.1- 1864- Volume(issue)/page/year: -,376,1968 Safety Information Hazard Codes Xi RIDADR UN 3249 Packaging Group III Hazard Class 6.1(b) HS Code 2925290090 Synthetic Route Total: 1 Page 1,5-Dibromopentane CAS#:111-24-0 Pentamidine CAS#:100-33-4 Literature: Journal of Medicinal Chemistry, , vol. 33, # 4 p. 1252 - 1257 Benzonitrile,4,... CAS#:7467-71-2 Pentamidine CAS#:100-33-4 Literature: Journal of Medicinal Chemistry, , vol. 33, # 4 p. 1252 - 1257 4-Hydroxybenzon... CAS#:767-00-0 Pentamidine CAS#:100-33-4 Literature: Journal of Medicinal Chemistry, , vol. 33, # 4 p. 1252 - 1257 Precursor & DownStream Precursor 3 CAS#:111-24-0 1,5-Dibromopentane CAS#:7467-71-2 Benzonitrile,4,... CAS#:767-00-0 4-Hydroxybenzon... DownStream 0 |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Product name: Summary 2925290090 other imines and their derivatives; salts thereof. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 6.5%. General tariff:30.0% |
| Related Products in Specialty Chemicals | ||
|---|---|---|
| Penirolol | 58503-83-6 | 2A-9011916 |
| Penitrem A | 12627-35-9 | 2A-9011917 |
| Penprostene | 61557-12-8 | 2A-9011918 |
| Pentacynium chloride | 77-12-3 | 2A-9011919 |
| Pentamethonium bromide | 541-20-8 | 2A-9011921 |
| Pentapiperium metilsulfate | 7681-80-3 | 2A-9011923 |
| Pentazocine | 359-83-1 | 2A-9011924 |
| Penticainide | 96513-83-6 | 2A-9011925 |
| Pentobarbitone | 76-74-4 | 2A-9011926 |
| Pentopril | 82924-03-6 | 2A-9011927 |
| Browse all Specialty Chemicals products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS