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

CAS Name

β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, ion(1-), (R)-, 2-hydroxy-N,N,N-trimethylethanaminium

Molecular Formula

C9H16NO5.C5H14NO

Cite 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 2024-12-23) (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)

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