CAS No.145918-75-8,TROXACITABINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	145918-75-8
Name:	TROXACITABINE
Article Data:	7

Formula:	C₈H₁₁N₃O₄
Molecular Weight:	213.193
Synonyms:	2(1H)-Pyrimidinone,4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-, (2S-cis)-;(-)-BCH 204;(-)-OccC;BCH 4556;L-OddC;SPD 758;Troxacitabine;Troxatyl;
EINECS:	200-258-5
Density:	1.71g/cm³
Melting Point:	176-177°
Boiling Point:	422.5 °C at 760 mmHg
Flash Point:	209.3 °C
PSA:	99.60000
LogP:	-0.72950

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Specification

The Troxacitabine is an organic compound with the formula C₈H₁₁N₃O₄. The IUPAC name of this chemical is 4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one. With the CAS registry number 145918-75-8, it is also named as . The product's categories are 2(1H)-Pyrimidinone, 4-amino-1-((2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl)-. Besides, Its use is being studied in patients with refractory lymphoproliferative diseases.

Physical properties about Troxacitabine are: (1)#H bond acceptors: 7; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 63.6 Å²; (5)Index of Refraction: 1.694; (6) Molar Refractivity: 47.71 cm³; (7)Molar Volume: 124.2 cm³; (8)Polarizability: 18.91×10^-24cm³; (9)Surface Tension: 74 dyne/cm; (10)Density: 1.71 g/cm³; (11)Flash Point: 209.3 °C; (12)Enthalpy of Vaporization: 78.15 kJ/mol; (13)Boiling Point: 422.5 °C at 760 mmHg; (14)Vapour Pressure: 6.59E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(/N)\C=C/N1[C@H]2O[C@H](OC2)CO
(2)InChI: InChI=1/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
(3)InChIKey: RXRGZNYSEHTMHC-BQBZGAKWBT
(4)Std. InChI: InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
(5)Std. InChIKey: RXRGZNYSEHTMHC-BQBZGAKWSA-N