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Substance Name: D-(-)-Pantoyltaurine, calcium salt
RN: 68921-90-4
InChIKey: RENGJRCTESDCSY-RGMNGODLSA-M

Molecular Formula

  • C8-H17-N-O6-S.x-Ca

Molecular Weight

  • 293.3515
 
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Names and Synonyms

Results Name

  • D-(-)-Pantoyltaurine, calcium salt

Synonyms

  • D-(-)-Pantoyltaurine, calcium salt
  • EINECS 272-966-3

Systematic Names

  • Calcium bis((R)-2-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)ethane-1-sulphonate)
  • Ethanesulfonic acid, 2-(((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-, calcium salt
  • Ethanesulfonic acid, 2-(((2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-, calcium salt (1:?)

Registry Numbers

CAS Registry Number

  • 68921-90-4

Related Registry Number

  • 2545-84-8 (Parent)

System Generated Number

  • 0068921904

Molecular Formulas

Molecular Formula

  • C8-H17-N-O6-S.x-Ca

Molecular Formula Fragments

  • C8-H17-N-O6-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C8H16NO6S.Ca/c1-8(2,5-10)6(11)7(12)9-3-4-16(13,14)15;/h6,10H,3-5H2,1-2H3,(H,9,12)(H,13,14,15);/q-1;+2/p-1/t6-;/m0./s1

InChIKey

RENGJRCTESDCSY-RGMNGODLSA-M

Smiles

[Ca+2].CC(C)(CO)[C@@H]([O-])C(=O)NCCS(=O)(=O)[O-]