Pantetheine

CAS Registry Number®

496-65-1
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CAS Name

Pantetheine

Molecular Formula

C11H22N2O4S

Molecular Mass

278.37

Cite this Page

Pantetheine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=496-65-1 (retrieved 2024-05-06) (CAS RN: 496-65-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1

InChIKey

InChIKey=ZNXZGRMVNNHPCA-VIFPVBQESA-N

SMILES

C([C@@H](C(CO)(C)C)O)(NCCC(NCCS)=O)=O

Canonical SMILES

O=C(NCCS)CCNC(=O)C(O)C(C)(C)CO

Other Names for this Substance

  • Butanamide, 2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-, (2R)-
  • Butanamide, 2,4-dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethyl-, (R)-
  • Butyramide, 2,4-dihydroxy-N-[2-[(2-mercaptoethyl)carbamoyl]ethyl]-3,3-dimethyl-
  • (2R)-2,4-Dihydroxy-N-[3-[(2-mercaptoethyl)amino]-3-oxopropyl]-3,3-dimethylbutanamide
  • α,γ-Dihydroxy-β-dimethylbutyryl-β-alanyl-β-aminoethanethiol

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Deleted or Replaced CAS Registry Numbers

1971-08-0, 31363-00-5

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