Calcium pantetheine-S-sulfonate

CAS Registry Number®

34644-00-3

CAS Name

Calcium pantetheine-S-sulfonate

Molecular Formula

C11H22N2O7S2.1/2Ca

Cite this Page

Calcium pantetheine-S-sulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34644-00-3 (retrieved 2024-12-23) (CAS RN: 34644-00-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H22N2O7S2.Ca/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-21-22(18,19)20;/h9,14,16H,3-7H2,1-2H3,(H,12,15)(H,13,17)(H,18,19,20);/t9-;/m0./s1

InChIKey

InChIKey=QBBCTYULQLFJMO-FVGYRXGTSA-N

SMILES

C(NCCC(NCCSS(=O)(=O)O)=O)([C@@H](C(CO)(C)C)O)=O.[Ca]

Canonical SMILES

[Ca].O=C(NCCSS(=O)(=O)O)CCNC(=O)C(O)C(C)(C)CO

Other Names for this Substance

  • Thiosulfuric acid (H2S2O3), S-[2-[[3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethyl] ester, calcium salt (2:1)
  • Thiosulfuric acid (H2S2O3), S-[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethyl] ester, calcium salt (2:1), (R)-
  • Calcium D-pantetheine-S-sulfonate
  • Pantetheine-S-sulfonic acid calcium salt
  • Pantetheine S-sulfate calcium salt

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Deleted or Replaced CAS Registry Numbers

64778-83-2