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CAS No.: | 24584-09-6 |
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Name: | Dexrazoxane |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C11H16N4O4 |
Molecular Weight: | 268.272 |
Synonyms: | 2,6-Piperazinedione,4,4'-(1-methyl-1,2-ethanediyl)bis-, (S)-;2,6-Piperazinedione, 4,4'-propylenedi-,(+)- (8CI);(S)-(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane;ADR 529;ICRF187;NSC 169780;Savene;Totect;Zinecard; |
EINECS: | 244-379-2 |
Density: | 1.333 g/cm3 |
Melting Point: | 194-196 ºC |
Boiling Point: | 531.5 ºC at 760 mmHg |
Flash Point: | 275.3 ºC |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 98.82000 |
LogP: | -2.17490 |
Dexrazoxane hydrochloride (Zinecard [Pfizer for USA & Canada]; Cardioxane [Novartis for EU & ROW]) is a cardioprotective agent.
The Dexrazoxane, with the CAS registry number 24584-09-6, is also known as (S)-4,4'-(1-Methyl-1,2-ethanediyl)bis-2,6-piperazinedione. It belongs to the product category of Chelating Agent. This chemical's molecular formula is C11H16N4O4 and molecular weight is 268.27. What's more, its IUPAC name is called 4-[(2S)-2-(3,5-Dioxopiperazin-1-yl)propyl]piperazine-2,6-dione. It is used to protect the heart against the cardiotoxic side effects of anthracyclines, such as doxorubicin.
Physical properties about Dexrazoxane are: (1)ACD/LogP: -0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.38; (4)ACD/LogD (pH 7.4): -0.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.87; (8)ACD/KOC (pH 7.4): 14.91; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.24 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 63.12 cm3; (15)Molar Volume: 201.2 cm3; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.333 g/cm3; (18)Flash Point: 275.3 °C; (19)Enthalpy of Vaporization: 80.71 kJ/mol; (20)Boiling Point: 531.5 °C at 760 mmHg; (21)Vapour Pressure: 2.22E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2NC(=O)CN(C[C@@H](N1CC(=O)NC(=O)C1)C)C2
(2) InChI: InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1
(3) InChIKey: BMKDZUISNHGIBY-ZETCQYMHSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | intravenous | 2gm/kg (2000mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING | Cancer Treatment Reports. Vol. 64, Pg. 1211, 1980. |
man | TDLo | intravenous | 383mg/kg (383mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING LIVER: LIVER FUNCTION TESTS IMPAIRED BLOOD: LEUKOPENIA | Cancer Clinical Trials. Vol. 4, Pg. 143, 1981. |
mouse | LD10 | intraperitoneal | 500mg/kg (500mg/kg) | Cancer Chemotherapy and Pharmacology. Vol. 38, Pg. 203, 1996. |