CAS No.28319-77-9,Ethanaminium,2-[[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, innersalt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28319-77-9
Name:	Ethanaminium,2-[[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, innersalt
Article Data:	24
Cas Database

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
Density:	N/A
Melting Point:	-98oC
Boiling Point:	N/A
Flash Point:	11 °C
Solubility:	N/A
Appearance:	White waxy solid
Hazard Symbols:	F,T
Risk Codes:	11-23/24/25-39/23/24/25
Safety:	16-36/37-45
Transport Information:	N/A
PSA:	108.86000
LogP:	-0.38240

Synthetic route

: 57090-45-6
(2R)-3-chloro-1,2-propanediol

: 107-73-3
phosphorylcholine chloride

: 28319-77-9
L-glycero-3-phosphorylcholine

Conditions

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%

: (R)-3-glycerylcycloethyl phosphate

: 75-50-3
trimethylamine

: 28319-77-9
L-glycero-3-phosphorylcholine

Conditions

Conditions	Yield
In ethanol at 20℃; for 5h;	92.11%

: 54672-38-7
(R)-1,2-diacetoxy glycerylphosphoryl choline

: 28319-77-9
L-glycero-3-phosphorylcholine

Conditions

Conditions	Yield
With potassium carbonate In methanol at 20℃; for 0.0833333h;	91%

: 57090-45-6
(2R)-3-chloro-1,2-propanediol

: phosphorylcholine chloride potassium salt

: 28319-77-9
L-glycero-3-phosphorylcholine

Conditions

Conditions	Yield
at 60 - 65℃; for 48h; Temperature;	78.6%

: 57090-45-6
(2R)-3-chloro-1,2-propanediol

: C5H13NO4P(1-)*Cl(1-)*2Na(1+)

: 28319-77-9
L-glycero-3-phosphorylcholine

Conditions

Conditions	Yield
at 80 - 85℃; for 50h;	77.8%
In ethanol Reflux;	7.8 g

: C8H21NO6P(1+)*Cl(1-)

: 28319-77-9
L-glycero-3-phosphorylcholine

Conditions

Conditions	Yield
With 717 type ion exchange resin In ethanol; water at 0℃; for 4h;	77%

: phosphorylcholine chloride potassium salt

: (2S)-3,4-dimethoxybenzylglycidol

: 28319-77-9
L-glycero-3-phosphorylcholine

Conditions

Conditions	Yield
In methanol; water Solvent; Reflux;	72.3%

: (R)-4-bromomethyl-2-methyl-2-ethyl-1,3-dioxolane

: 28319-77-9
L-glycero-3-phosphorylcholine

Conditions

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%

: 107-73-3
phosphorylcholine chloride

: 57044-25-4
(R)-oxiranemethanol

: 28319-77-9
L-glycero-3-phosphorylcholine

Conditions

Conditions	Yield
In ethanol at 75 - 85℃; for 12h;	67.5%

: C9H15IO2

: 28319-77-9
L-glycero-3-phosphorylcholine

Conditions

Conditions	Yield
Stage #1: C9H15IO2 With potassium hydroxide In ethanol at 85℃; for 15h; Stage #2: With hydrogenchloride In methanol; ethanol; water	66.5%

Raw Materials

Downstream Products

62-49-7

63-89-8

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Specification

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,

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