β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, ion(1-), (R)-, 2-hydroxy-N,N,N-trimethylethanaminium
CAS Registry Number®
10030-88-3
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CAS Name
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, ion(1-), (R)-, 2-hydroxy-N,N,N-trimethylethanaminiumMolecular Formula
C9H16NO5.C5H14NOCite this Page
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, ion(1-), (R)-, 2-hydroxy-N,N,N-trimethylethanaminium. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=10030-88-3 (retrieved ) (CAS RN: 10030-88-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C9H17NO5.C5H14NO/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;1-6(2,3)4-5-7/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);7H,4-5H2,1-3H3/q;+1/p-1/t7-;/m0./s1
InChIKey
InChIKey=HXCGBBALZREMAS-FJXQXJEOSA-M
SMILES
[C@@H](C(CO)(C)C)(C(NCCC([O-])=O)=O)O.C([N+](C)(C)C)CO
Canonical SMILES
O=C([O-])CCNC(=O)C(O)C(C)(C)CO.OCC[N+](C)(C)C
Other Names for this Substance
- β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, ion(1-), (R)-, 2-hydroxy-N,N,N-trimethylethanaminium
- Choline, pantothenate
- Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanine (1:1)
