Pantetheine
CAS Registry Number®
496-65-1
CAS Name
PantetheineMolecular Formula
C11H22N2O4SMolecular Mass
278.37Cite this Page
Pantetheine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=496-65-1 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
1971-08-0, 31363-00-5