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| CAS No.: | 28319-77-9 |
|---|---|
| Name: | Choline glycerophosphate |
| Molecular Structure: | |
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| Formula: | C8H20NO6P |
| Molecular Weight: | 257.224 |
| Synonyms: | Alfoscerate de choline;BRN 6062450;Calcium (glycerophosphate de);Choline alfoscerate;Choline alphoscerate;Cholini alfosceras;Cholini glycerophosphas;Colina glicerofosfato;Glycerophosphate de choline;L-a-Glycerophosphorylcholine (choline alfoscerate) (GPC);L-alpha-Glycerylphosphoryl choline,GPC;Choline glycerophosphate; |
| EINECS: | 248-962-2 |
| Melting Point: | -98oC |
| Boiling Point: | 480℃[at 101 325 Pa] |
| Flash Point: | 11 °C |
| Solubility: | 1000g/L at 25℃ |
| Appearance: | White waxy solid |
| Hazard Symbols: |
 F, T
|
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 16-36/37-45 |
| PSA: | 108.86000 |
| LogP: | -0.38240 |
(2R)-3-chloro-1,2-propanediol
phosphorylcholine chloride
L-glycero-3-phosphorylcholine
| Conditions | Yield |
|---|---|
| Stage #1: phosphorylcholine chloride With potassium hydroxide In methanol for 1h; Stage #2: (2R)-3-chloro-1,2-propanediol In methanol at 65℃; for 16h; Temperature; | 99% |
| Stage #1: phosphorylcholine chloride With potassium hydroxide In ethanol for 0.5h; Stage #2: (2R)-3-chloro-1,2-propanediol In ethanol at 75 - 85℃; for 6h; | 79.6% |
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; for 5h; | 92.11% |
(R)-1,2-diacetoxy glycerylphosphoryl choline
L-glycero-3-phosphorylcholine
| Conditions | Yield |
|---|---|
| With potassium carbonate In methanol at 20℃; for 0.0833333h; | 91% |
(2R)-3-chloro-1,2-propanediol
L-glycero-3-phosphorylcholine
| Conditions | Yield |
|---|---|
| at 60 - 65℃; for 48h; Temperature; | 78.6% |
(2R)-3-chloro-1,2-propanediol
L-glycero-3-phosphorylcholine
| Conditions | Yield |
|---|---|
| at 80 - 85℃; for 50h; | 77.8% |
| In ethanol Reflux; | 7.8 g |
L-glycero-3-phosphorylcholine
| Conditions | Yield |
|---|---|
| With 717 type ion exchange resin In ethanol; water at 0℃; for 4h; | 77% |
L-glycero-3-phosphorylcholine
| Conditions | Yield |
|---|---|
| In methanol; water Solvent; Reflux; | 72.3% |
L-glycero-3-phosphorylcholine
| Conditions | Yield |
|---|---|
| Stage #1: (R)-4-bromomethyl-2-methyl-2-ethyl-1,3-dioxolane With sodium hydroxide In isopropyl alcohol at 82℃; for 30h; Stage #2: With sulfuric acid In ethanol; water; isopropyl alcohol | 67.9% |
phosphorylcholine chloride
(R)-oxiranemethanol
L-glycero-3-phosphorylcholine
| Conditions | Yield |
|---|---|
| In ethanol at 75 - 85℃; for 12h; | 67.5% |
L-glycero-3-phosphorylcholine
| Conditions | Yield |
|---|---|
| Stage #1: C9H15IO2 With potassium hydroxide In ethanol at 85℃; for 15h; Stage #2: With hydrogenchloride In methanol; ethanol; water | 66.5% |
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1.Introduction of Choline glycerophosphate
The CAS register number of Choline glycerophosphate is 28319-77-9. It also can be called as 2-(((2,3-Dihydroxypropoxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium inner salt and the IUPAC name about this chemical is [(2R)-2,3-dihydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate. The molecular formula about this chemical is C8H20NO6P and the molecular weight is 257.22. It belongs to the following product categories, such as Activity Other; Activity; Enzyme Substrates and so on. This chemical can be used as a putative cognition enhancer and a putative growth hormone secretagogue.
2.Physical properties of Choline glycerophosphate
(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: 10; (8)Polar Surface Area: 86.86Å2.
3.Structure descriptors of Choline glycerophosphate
(1)SMILES: [O-]P(=O)(OC[C@H](O)CO)OCC[N+](C)(C)C
(2)InChI: InChI=1/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1
(3)InChIKey: SUHOQUVVVLNYQR-MRVPVSSYBR
(4)Std. InChI: InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1
(5)Std. InChIKey: SUHOQUVVVLNYQR-MRVPVSSYSA-N
4.Safety information of Choline glycerophosphate
This chemical is toxic by inhalation, in contact with skin and if swallowed, it is danger of very serious irreversible effects and it is highly flammable. When you are using it, wear suitable protective clothing and gloves, you need keep away from sources of ignition. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
5.The toxicity data of Choline glycerophosphate
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | > 650mg/kg (650mg/kg) | Japanese Kokai Tokyo Koho Patents. Vol. #93-32553, | |
| mouse | LD50 | oral | > 13gm/kg (13000mg/kg) | Japanese Kokai Tokyo Koho Patents. Vol. #93-32553, |
