| CAS Number | 173686-73-2 |
| Catalog Number | AG00HZMD(AGN-PC-0QAEBN) |
| Chemical Name | 1-PROPANAMINIUM, 3-CARBOXY-N,N,N-TRIMETHYL-2-[(1-OXOTETRADECYL)OXY]-,CHLORIDE, (2R)- |
| IUPAC Name | [(2R)-3-carboxy-2-tetradecanoyloxypropyl]-trimethylazanium;chloride |
| InChI | InChI=1S/C21H41NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4;/h19H,5-18H2,1-4H3;1H/t19-;/m1./s1 |
| InChI Key | TWGWHMYOGIGWDM-FSRHSHDFSA-N |
| MDL Number | MFCD00274133 |
| Molecular Formula | C21H42ClNO4 |
| Molecular Weight | 408.0155 |
| SMILES | OC(C[C@H](C[N+](C)(C)C)OC(CCCCCCCCCCCCC)=O)=O.[Cl-] |
| Synonyms | MYRISTOYL-L-CARNITINE CHLORIDE,
173686-73-2,
MFCD00274133,
B6354,
( inverted exclamation markA)-Myristoylcarnitine chloride,
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxotetradecyl)oxy]-,chloride, (2R)-,
14919-38-1,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 407.28g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.02g/mol |
| Monoisotopic Mass | 407.28g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number