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987-78-0

Basic Information
CAS No.: 987-78-0
Name: Citicoline
Molecular Structure:
Molecular Structure of 987-78-0 (Citicoline)
Formula: C14H26N4O11P2
Molecular Weight: 488.32
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
Density:
Melting Point:
Boiling Point: 851.4°C at 760 mmHg
Flash Point:
Solubility:
Appearance: White powder
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 235.34000
LogP: -0.57910
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    Introduction CDP-Choline, also known as cytidine diphosphate-choline (Citicoline Sodium) & cytidine 5'-diphosphocholine is a psychostimulant/nootropic. It is an intermediate in the generation of phosphatidylcholine from choline. Studi

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    Citicoline CAS No.:987-78-0 Name: Citicoline Synonyms: Cytidine 5'-diphosphate choline; Cytidine 5'-diphosphocholine; Cytidine choline diphosphate; Cytidine diphosphate choline; Cytidine diphosphate

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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.