CAS No.24584-09-6,Dexrazoxane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	24584-09-6
Name:	Dexrazoxane
Article Data:	9

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

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History

Dexrazoxane hydrochloride (Zinecard [Pfizer for USA & Canada]; Cardioxane [Novartis for EU & ROW]) is a cardioprotective agent.

Specification

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.