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Ancitabine
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Name

Ancitabine

 EINECS N/A
CAS No. 31698-14-3 Density 2.01 g/cm3
PSA 100.59000 LogP -1.52610
Solubility N/A Melting Point 269-270 °C (dec.)(lit.)
Formula C9H11N3O4 Boiling Point 422.2 °C at 760 mmHg
Molecular Weight 225.204 Flash Point 209.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 31698-14-3 (Ancitabine) Hazard Symbols N/A
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;

Article Data 12

Ancitabine 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 C9H11N3O4 and 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.

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