CAS No.158798-73-3,Capecitabine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	158798-73-3
Name:	Capecitabine
Article Data:	32

Formula:	C₁₅H₂₂FN₃O₆
Molecular Weight:	359.355
Synonyms:	Carbamicacid, [1-(5-deoxy-b-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl]-, pentylester;5'-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine;Capiibine;Captabin;Ro 09-1978;
Density:	1.49 g/cm³
Boiling Point:	437.874°C at 760 mmHg
Flash Point:	218.619°C
PSA:	122.91000
LogP:	0.83320

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Specification

The Cytidine,5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-, with its CAS registry number 158798-73-3, has its systematic name of 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine. And this chemical has its molecular formula of C₁₅H₂₂FN₃O₆ and molecular weight of 359.35. Besides, it should be kept in the cool and dry place.

Physical properties of Cytidine,5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): -0.64; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.09; (8)ACD/KOC (pH 7.4): 1.98; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 89.9 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 82.32 cm³; (15)Molar Volume: 240.5 cm³; (16)Polarizability: 32.63×10^-24cm³; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.49 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES:FC=1\C(=N/C(=O)N(C=1)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C)\NC(=O)OCCCCC
(2)Std. InChI:InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
(3)Std. InChIKey:GAGWJHPBXLXJQN-UORFTKCHSA-N

Following are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
women	TDLo	oral	2120mg/kg/28D (2120mg/kg)	SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE	New England Journal of Medicine. Vol. 343, Pg. 740, 2000.