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CAS No.: | 10212-25-6 |
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Name: | 2,2'-Anhydro-1-beta-D-arabinofuranosylcytosine hydrochloride |
Molecular Structure: | |
Formula: | C9H11N3O4.HCl |
Molecular Weight: | 261.665 |
Synonyms: | Ancitabine hydrochloride (JAN);2, 2-Anhydroarabinosylcytosine hydrochloride;Cytosine, 1beta-D-arabinofuranosyl-2,2-anhydro-, hydrochloride;Cyclo-cmp hydrochloride;CycloCMP hydrochloride;2,2-Anhydroarabinosylcytosine hydrochloride;O2,2-Cyclocytidine, monohydrochloride;1-beta-D-Arabinofuranosylcytosine, 2,2-anhydro-, hydrochloride;1beta-D-Arabinofuranosylcytosine, 2,2-anhydro-, hydrochloride;2,2-O-Cyclocytidine hydrochloride;2, 2-O-Cyclocytidine hydrochloride;2,2-Anhydro-1-beta-D-arabinofuranosylcytosine hydrochloride;Cyclocytidine hydrochloride;2,2-Anhydrocytarabine hydrochloride;O-2,2-Cyclocytidine monohydrochloride;2,2-Cyclocytidine hydrochloride;6H-Furo(2,3:4,5)oxazolo(3,2-a)-pyrimidine-2-methanol, 2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, monohydrochloride, stereoisomer;1.beta.-D-Arabinofuranosylcytosine, 2, 2-anhydro-, hydrochloride;2, 2-Anhydro-1.beta.-D-arabinofuranosylcytosine hydrochloride;OCTD hydrochloride;2,2-Cyclocytidine, monohydrochloride;2,2-Anhydroaracytidine hydrochloride;Cytosine, 1.beta.-D-arabinofuranosyl-2,2-anhydro-, hydrochloride;2,2'-anhydrocytidine hydrochloride;CyclocytidiniHydrochlorinum; |
EINECS: | 233-515-6 |
Density: | 2.01 g/cm3 |
Melting Point: | 269-270 °C (dec.)(lit.) |
Boiling Point: | 442 °C at 760 mmHg |
Flash Point: | 221.1 °C |
Appearance: | white fine crystalline powder |
Safety: | 24/25 |
PSA: | 100.59000 |
LogP: | -0.72410 |
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The Cyclocytidine hydrochloride with the cas number 79559-97-0, is also called (1)1-beta-D-Arabinofuranosylcytosine, 2,2'-anhydro- ,hydrochloride; (2)1beta-D-Arabinofuranosylcytosine, 2,2'-anhydro-, hydrochloride ; (3)2,2'-Anhydro-1-beta-D-arabinofuranosylcytosine hydrochloride ; (4)2,2'-Anhydro-1beta-D-arabinofuranosylcytosine hydrochloride ; (5)2,2'-Anhydroarabinosylcytosine hydrochloride ; (6)2,2'-Anhydroaracytidine hydrochloride ; (7)2,2'-Anhydrocytarabine hydrochloride ; (8)2,2'-Anhydrocytidine hydrochloride ; (9)2,2'-Cyclocytidine hydrochloride ; (10)2,2'-Cyclocytidine, monohydrochloride ; (11)2,2'-O-Cyclocytidine hydrochloride ; (12)Ancitabin HCl ; (13)Ancitabin hydrochlorid ; (14)(-)-Cyclocytidine hydrochloride ; (15)Cyclo-cmp hydrochloride ; (16)Cyclocytidine ; (17)Cyclocytidine hydrochloride ; (18)Cytosine, 1-beta-D-arabinofuranosyl-2,2'-anhydro-, hydrochloride; (19)Cytosine, 1beta-D-arabinofuranosyl-2,2'-anhydro-, hydrochloride; (20)O-2,2'-Cyclocytidine monohydrochloride. It belongs to the following product categories:(1)API intermediates; (2)Biochemistry; (3)Nucleosides and their analogs; (4)Nucleosides, Nucleotides & Related Reagents
Properties of Cyclocytidine hydrochloride are: (1)ACD/LogP: -2.30 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -4.24 ; (4)ACD/LogD (pH 7.4): -3.25 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 7 ; (10)#H bond donors: 3 ; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 64.88 Å2 ; (13)Flash Point: 209.1 °C ; (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
The Cyclocytidine hydrochloride appears to be white fine crystalline powder. This product translates into cytarabine in the body, and has a similar function to similar. It is cell cycle specific agent, mainly act on in S phase. It is clinical used for all kinds of acute leukemia, acute myelogenous leukemia, and also have good effect on meningeal leukemia. Cyclocytidine hydrochloride is used in the treatment of herpes simplex virus keratitis in ophthalmology. Usage: intravenous injection, adult 200mg ~ 600mg/times, once a day, succession of 5-7 days as a course of treatment. Muscle injection or oral doses, dose is similar with static injection.
You can still convert the following datas into molecular structure :
1. SMILES: Cl.O2/C1=N/C(=[N@H])/C=C\N1[C@@H]3O[C@@H]([C@@H](O)[C@H]23)CO
2. InChI: InChI=1/C9H11N3O4.ClH/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;1H/b10-5+;/t4-,6-,7+,8-;/m1./s1
The Cyclocytidine hydrochloride toxic data can be showed in the following sheet.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 344mg/kg (344mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 353, 1974. |
monkey | LD50 | intravenous | 1045mg/kg (1045mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) GASTROINTESTINAL: NAUSEA OR VOMITING GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 353, 1974. |
mouse | LD50 | intraperitoneal | 2528mg/kg (2528mg/kg) | National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, | |
mouse | LD50 | intravenous | 800mg/kg (800mg/kg) | Drugs in Japan Vol. 6, Pg. 55, 1982. | |
mouse | LD50 | oral | > 7gm/kg (7000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 359, 1979. | |
mouse | LD50 | subcutaneous | 4050mg/kg (4050mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 359, 1979. | |
rat | LD50 | intraperitoneal | 3800mg/kg (3800mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 359, 1979. | |
rat | LD50 | intravenous | 820mg/kg (820mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 359, 1979. | |
rat | LD50 | oral | > 7gm/kg (7000mg/kg) | Drugs in Japan Vol. -, Pg. 86, 1990. | |
rat | LD50 | subcutaneous | > 5500mg/kg (5500mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 359, 1979. | |
women | TDLo | subcutaneous | 120mg/kg (120mg/kg) | VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE | Cancer Treatment Reports. Vol. 62, Pg. 455, 1978. |