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Substance Name: beta-Alanine, N-(2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonoxy)butyl)-, calcium salt (1:1), (R)-
RN: 55816-28-9
InChIKey: GQSFAKGGGXTCJK-FJXQXJEOSA-L

Molecular Formula

  • C9-H16-N-O8-P.Ca

Molecular Weight

  • 337.276
 
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Names and Synonyms

Synonym

  • Calcium 4-phosphopantothenate

Systematic Name

  • beta-Alanine, N-(2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonoxy)butyl)-, calcium salt (1:1), (R)-

Registry Numbers

CAS Registry Number

  • 55816-28-9

System Generated Number

  • 0055816289

Molecular Formulas

Molecular Formula

  • C9-H16-N-O8-P.Ca

Molecular Formula Fragments

  • C9-H16-N-O8-P
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C9H18NO8P.Ca/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12;/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17);/q;+2/p-2/t7-;/m0./s1

InChIKey

GQSFAKGGGXTCJK-FJXQXJEOSA-L

Smiles

C([C@H](C(NCCC(=O)[O-])=O)O)(COP(O)(=O)[O-])(C)C.[Ca+2]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1180mg/kg (1180mg/kg)   Antibiotiki. Vol. 28, Pg. 760, 1983.