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| CAS No.: | 987-78-0 |
|---|---|
| Name: | CYTIDINE 5'-DIPHOSPHOCHOLINE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C14H26N4O11P2 |
| Molecular Weight: | 488.328 |
| Synonyms: | Choline,hydroxide, 5'-ester with cytidine 5'-(trihydrogen pyrophosphate), inner salt(8CI);Audes;CDP-choline;Cereb;Choline 5'-cytidinediphosphate;Citicholine;Citidoline;Colite;Corenalin;Cytidine 5'-(cholinediphosphate);Cytidinediphosphate choline;Cytidoline;Emicholine F;Hornbest;Neucolis;Nicolin;Reagin;Recognan;Somazina; |
| EINECS: | 213-580-7 |
| Boiling Point: | 851.4°C at 760 mmHg |
| Appearance: | White powder |
| PSA: | 235.34000 |
| LogP: | -0.57910 |
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Specification
The Citicoline, with the CAS registry number 987-78-0, is also known as Choline, hydroxide, 5'-ester with cytidine 5'-(trihydrogen pyrophosphate), inner salt. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS number is 213-580-7. This chemical's molecular formula is C14H26N4O11P2 and molecular weight is 488.32. What's more, its systematic name is 5'-O-[hydroxy({[(trimethylammonio)oxy]phosphinato}oxy)phosphoryl]cytidine. Its classification codes are: (1)Central Nervous System Agents; (2)Drug / Therapeutic Agent; (3)Nootropic agents. It is a donor of choline in biosynthesis of choline-containing phosphoglycerides. It is used for curing acute craniocerebral trauma and brain disorder of consciousness after surgery. It can be extract from liver or yeast, and it can also prepared through chemical synthesis.
Physical properties of Citicoline are: (1)#H bond acceptors: 15; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 233.12 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: C[N+](C)(C)OP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@@H](N1/C=C\C(\N)=N/C1=O)[C@H](O)[C@@H]2O
(2)Std. InChI: InChI=1S/C12H22N4O11P2/c1-16(2,3)26-29(22,23)27-28(20,21)24-6-7-9(17)10(18)11(25-7)15-5-4-8(13)14-12(15)19/h4-5,7,9-11,17-18H,6H2,1-3H3,(H3-,13,14,19,20,21,22,23)/t7-,9-,10-,11-/m1/s1
(3)Std. InChIKey: OPDHNBAEGPICKZ-QCNRFFRDSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intramuscular | 4472mg/kg (4472mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 109, 1980. |
| mouse | LD50 | intraperitoneal | 5393mg/kg (5393mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 109, 1980. |
| mouse | LD50 | intravenous | 4150mg/kg (4150mg/kg) | Drugs in Japan Vol. -, Pg. 531, 1995. | |
| mouse | LD50 | oral | 27142mg/kg (27142mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 109, 1980. |
| mouse | LD50 | subcutaneous | 6485mg/kg (6485mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 109, 1980. |
| rabbit | LD50 | intravenous | 1950mg/kg (1950mg/kg) | Drugs in Japan Vol. 6, Pg. 322, 1982. | |
| rat | LD50 | intramuscular | 3750mg/kg (3750mg/kg) | Drugs in Japan Vol. -, Pg. 531, 1995. | |
| rat | LD50 | intraperitoneal | 5344mg/kg (5344mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 109, 1980. |
| rat | LD50 | intravenous | 2973mg/kg (2973mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 109, 1980. |
| rat | LD50 | oral | 18501mg/kg (18501mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 109, 1980. |
| rat | LD50 | subcutaneous | 8218mg/kg (8218mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ANTIPSYCHOTIC LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Oyo Yakuri. Pharmacometrics. Vol. 20, Pg. 109, 1980. |
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