CAS No.31698-14-3,Ancitabine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31698-14-3
Name:	Ancitabine
Article Data:	12

Formula:	C₉H₁₁N₃O₄
Molecular Weight:	225.204
Synonyms:	2,2'-O-Cyclocytidine;Cyclocytidine;6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol,2,3,3a,9a-tetrahydro-3-hydroxy-6-imino- (6CI);6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol,2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, stereoisomer (8CI);2,2'-Anhydro(1-b-D-arabinofuranosyl)cytosine;2,2'-Anhydroarabinosylcytosine;2,2'-Anhydrocytidine;2,2'-Cyclocytidine;
Density:	2.01 g/cm₃
Melting Point:	269-270 °C (dec.)(lit.)
Boiling Point:	422.2 °C at 760 mmHg
Flash Point:	209.1 °C
PSA:	100.59000
LogP:	-1.52610

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Specification

The CAS register number of Cyclocytidine is 31698-14-3. It also can be called as Ancitabine and the systematic name about this chemical is (2R,3R,3aS,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol. The molecular formula about this chemical is C₉H₁₁N₃O₄and the molecular weight is 225.20. It belongs to the Active Pharmaceutical Ingredients. Congener of Cyclocytidine that is metabolized to cytarabine and thereby maintains a more constant antineoplastic action.

Physical properties about Cyclocytidine are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 7; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 98.37Å²; (9)Index of Refraction: 1.845; (10)Molar Refractivity: 49.77 cm³; (11)Molar Volume: 111.8 cm³; (12)Polarizability: 19.73x10^-24cm³; (13)Surface Tension: 93.9 dyne/cm; (14)Enthalpy of Vaporization: 78.11 kJ/mol; (15)Boiling Point: 422.2 °C at 760 mmHg; (16)Vapour Pressure: 6.77E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N=C\2/N=C3/O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N3/C=C/2
(2)InChI: InChI=1/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m1/s1
(3)InChIKey: BBDAGFIXKZCXAH-CCXZUQQUBM
(4)Std. InChI: InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8-/m1/s1
(5)Std. InChIKey: BBDAGFIXKZCXAH-CCXZUQQUSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1600mg/kg (1600mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Eksperimental'naya i Klinicheskaya Farmakoterapiya. Vol. 9, Pg. 31, 1980.
mouse	LD50	intravenous	800mg/kg (800mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 7, Pg. 108, 1976.
mouse	LD50	oral	3400mg/kg (3400mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Eksperimental'naya i Klinicheskaya Farmakoterapiya. Vol. 9, Pg. 31, 1980.
mouse	LD50	subcutaneous	4050mg/kg (4050mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 7, Pg. 108, 1976.
rat	LD50	intraperitoneal	1700mg/kg (1700mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Eksperimental'naya i Klinicheskaya Farmakoterapiya. Vol. 9, Pg. 31, 1980.
rat	LD50	intravenous	820mg/kg (820mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 7, Pg. 108, 1976.
rat	LD50	oral	> 7gm/kg (7000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 7, Pg. 108, 1976.