| CAS Number | 6920-31-6 |
| Catalog Number | AG00FDFT(AGN-PC-0TV2C8) |
| Chemical Name | Isobutyryl-L-carnitine (chloride) |
| IUPAC Name | [(2R)-3-carboxy-2-(2-methylpropanoyloxy)propyl]-trimethylazanium;chloride |
| InChI | InChI=1S/C11H21NO4.ClH/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5;/h8-9H,6-7H2,1-5H3;1H/t9-;/m1./s1 |
| InChI Key | FWUACOYFRJEMMP-SBSPUUFOSA-N |
| MDL Number | MFCD09263552 |
| Molecular Formula | C11H22ClNO4 |
| Molecular Weight | 267.7497 |
| SMILES | OC(C[C@@H](OC(C(C)C)=O)C[N+](C)(C)C)=O.[Cl-] |
| Synonyms | 6920-31-6,
ISOBUTYRYL-L-CARNITINE CHLORIDE,
DTXSID20857876,
Isobutyryl-L-(-)-carnitine Chloride,
MFCD09263552,
ST 284,
FT-0670426,
(2R)-3-Carboxy-N,N,N-trimethyl-2-[(2-methylpropanoyl)oxy]propan-1-aminium chloride,
(2R)-3-Carboxy-N,N,N-trimethyl-2-(2-methyl-1-oxopropoxy)-1-propanaminium Inner Salt Chloride,
Isobutyryl L-Carnitine Chloride,
FWUACOYFRJEMMP-SBSPUUFOSA-N,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.75g/mol |
| Monoisotopic Mass | 267.124g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number