1,2-Dibutyrylphosphatidylcholine
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Basic information
- CAS
3355-26-8- Standard SMILES
CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC- InChIKey
QIJYAMAPPUXBSC-CQSZACIVSA-N- Molecular formula
- C16H32NO8P
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.18655398
Overview
PC(4:0/4:0) is a 1,2-diacyl-sn-glycero-3-phosphocholine.
Names & identifiers
- Preferred name
- 1,2-Dibutyrylphosphatidylcholine
- IUPAC
- [(2R)-2,3-di(butanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
- English name
- 1,2-DIBUTYRYL-SN-GLYCERO-3-PHOSPHOCHOLINE
- Molecular formula
- C16H32NO8P
- Molecular weight
- 397.4
Names & synonyms
3355-26-8Dic4PCDibutyryl-PCDibutyryl-lecithin1,2-DibutyrylphosphatidylcholineDibutanoyllecithinDibutyryl lecithinKB699DH10E1,2-Dibutyroyl-sn-glycero-3-phosphocholine1,2-dibutryl-sn-glycero-3-phosphocholine3,5,9-Trioxa-4-phosphatridecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-(1-oxobutoxy)-, hydroxide, inner salt, 4-oxide, (R)-RefChem:906702
Show more names
l-α-phosphatidylcholine, dibutyrylL-ALPHA-PHOSPHATIDYLCHOLINE, DIBUTYRYL1 2-DIBUTYRYL-SN-GLYCERO-3-PHOSPHOCHOLIN
1,2-dibutyryl-sn-glycero-3-phosphocholine(R)-2,3-Bis(butyryloxy)propyl (2-(trimethylammonio)ethyl) phosphateUNII-KB699DH10E[(2R)-2,3-di(butanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphateL-alpha-Dibutyroylglycero-3-phosphatidylcholinePC(4:0/4:0)PC 8:004:0 PC
Database identifiers
- CAS
3355-26-8- PubChem CID
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Experimental & physicochemical properties
LipidsLipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Diacylglycerophosphocholines [GP0101]
Physicochemical properties
- Flash point
- 11 ℃ · 11℃
- storage temp.
- 20 °C · −20°C
- form
- solution
- InChI
- 1S/C16H32NO8P/c1-6-8-15(18)22-12-14(25-16(19)9-7-2)13-24-26(20,21)23-11-10-17(3,4)5/h14H,6-13H2,1-5H3/t14-/m1/s1
- InChIKey
- QIJYAMAPPUXBSC-CQSZACIVSA-N
- SMILES
- [O-]P(OCC[N+](C)(C)C)(OC[C@]([H])(OC(CCC)=O)COC(CCC)=O)=O
- FDA UNII
- 699 DH10E · KB699DH10E
- UNSPSC Code
- 51191904 · 51191904
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312-H315-H319-H331-H336-H351-H361d-H370-H372
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 45-46-11-23/25-36/38-48/20/22-40-39/23/24/25-23/24/25-63
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- F,T
- safety_code
- 53-7-16-23-36/37/39-45-36/37-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H225-H302+H312-H315-H319-H331-H336-H351-H361d-H370-H372
- Precautionary statements
- P201-P210-P260-P280-P304+P340+P312-P370+P378
Chemistry & industry
Applications
Uses1,2-Dibutyryl-sn-glycero-3-phosphocholine is used as drug dosage forms of phenylcarbamoylaminobenzoates for enhancing cell survival rate
Additional notes
DefinitionChEBI: PC(4:0/4:0) is a 1,2-diacyl-sn-glycero-3-phosphocholine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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