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Basic information

  • Name:
  • Ethanaminium,2-[[[(2R)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, innersalt

  • Superlist Name:
  • Choline glycerophosphate
  • CAS No.:
  • 28319-77-9

  • Molecular Structure:
  • Formula:
  • C8H20NO6P
  • Molecular Weight:
  • 257.22
  • Deleted CAS:
  • 103709-68-8|117829-79-5
  • 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);
  • EINECS:
  • 248-962-2
  • Flash Point:
  • 11 °C
  • Appearance:
  • White waxy solid
  • Hazard Symbols:
  • FlammableF,ToxicT
  • Risk Codes:
  • 11-23/24/25-39/23/24/25
  • Safety Description:
  • 16-36/37-45 Details

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Specification

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.

Physical properties about Choline glycerophosphate are: (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.

When you are using this chemical, please be cautious about it as the following:
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.)

You can still convert the following datas into molecular structure:
(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

The toxicity data is as follows:

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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