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Substance Name: Choline pantothenate
RN: 10030-88-3
UNII: THH96D721T
InChIKey: HXCGBBALZREMAS-UHFFFAOYSA-M

Molecular Formula

  • C9-H16-N-O5.C5-H14-N-O

Molecular Weight

  • 322.399
 
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Names and Synonyms

Name of Substance

  • Choline pantothenate

Synonyms

  • EINECS 233-081-8
  • UNII-THH96D721T

Systematic Name

  • 2-Hydroxyethyltrimethylammonium (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninate

Registry Numbers

CAS Registry Number

  • 10030-88-3

FDA UNII

  • THH96D721T

System Generated Number

  • 0010030883

Molecular Formulas

Molecular Formula

  • C9-H16-N-O5.C5-H14-N-O

Molecular Formula Fragments

  • C5-H14-N-O
  • C9-H16-N-O5
  • COMPONENT

Structure Descriptors

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

InChIKey

HXCGBBALZREMAS-UHFFFAOYSA-M

Smiles

CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.C[N+](C)(C)CCO