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Chemical structure of Pantethine (D-Pantethine)

GC30048

Pantethine (D-Pantethine)

Also known as N-[3-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

Pantethine (D-Pantethine) is a dimeric form of pantothenic acid, is an intermediate in the production of Coenzyme A, is available as a dietary supplement, and is used to treat acne and improve the blood-cholesterol profile

ChemicalCAS16816-67-4MW554.72FormulaC22H42N4O8S2
CAS number
16816-67-4
Molecular weight
554.72
Formula
C22H42N4O8S2
Solubility
Water ： ≥ 80 mg/mL (144·22 mM);DMSO ： ≥ 30 mg/mL (54·08 mM)
InChIKey
DJWYOLJPSHDSAL-UHFFFAOYSA-N
Catalogue number
GC30048
Brand
GLPBIO
Computed properties PubChem CID 4677 · XLogP -2.2 · TPSA 248 Ų · H-bond donors 8
XLogP
-2.2
TPSA
248 Ų
H-bond donors
8
H-bond acceptors
10
Rotatable bonds
19
Heavy atoms
36

SMILES CC(C)(CO)C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(C)(C)CO)O)O

Computed descriptors from PubChem (CID 4677), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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