CAS No.987-78-0,CYTIDINE 5'-DIPHOSPHOCHOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	987-78-0
Name:	CYTIDINE 5'-DIPHOSPHOCHOLINE
Article Data:	14

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

Raw Materials

67-48-1

65-86-1

492-62-6

Total:202 Page 1 of 6 1 2 3 4 5 6 Next>>

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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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