(R)-3-Amino-4-dimethylaminobutanoic Acid Benzyl Ester Dihydrochloride - CAS 1059704-57-2
Catalog: |
BB054817 |
Product Name: |
(R)-3-Amino-4-dimethylaminobutanoic Acid Benzyl Ester Dihydrochloride |
CAS: |
1059704-57-2 |
Synonyms: |
(3R) -3- Amino- 4- (dimethylamino)-butanoic Acid Phenylmethyl Ester Hydrochloride |
IUPAC Name: | benzyl 3-amino-4-(dimethylamino)butanoatedihydrochloride |
Description: | (R)-3-Amino-4-dimethylaminobutanoic Acid Benzyl Ester Dihydrochloride is used in the preparation of 4-dimethylaminobutyric acid derivatives as therapeutic carnitine palmitoyl transferase inhibitors. |
Molecular Weight: | 236.31 + (72.92) |
Molecular Formula: | C13H20N2O2·2HCl |
Canonical SMILES: | CN(C)CC(CC(=O)OCC1=CC=CC=C1)N.Cl.Cl |
InChI: | InChI=1S/C13H20N2O2.2ClH/c1-15(2)9-12(14)8-13(16)17-10-11-6-4-3-5-7-11/h3-7,12H,8-10,14H2,1-2H32*1H |
InChI Key: | NGCJFDXSIDJWIR-UHFFFAOYSA-N |
References: | Andjelkovic, M., et al. U.S. Pat. Appl. Publ., 22 pp., (2009). |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.1058333 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.1058333 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 55.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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