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N,N'-{Disulfanediylbis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]}bis(2,4-dihydroxy-3,3-dimethylbutanamide)

HCID 4677
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Basic information

CAS
138148-35-3
Standard SMILES
CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
InChIKey
DJWYOLJPSHDSAL-UHFFFAOYSA-N
Molecular formula
C22H42N4O8S2
Average molar mass
554.732 g/mol
Monoisotopic mass
554.2444063

Names & identifiers

Preferred name
N,N'-{Disulfanediylbis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]}bis(2,4-dihydroxy-3,3-dimethylbutanamide)
IUPAC
N,N'-{Disulfanediylbis[(ethane-2,1-diyl)azanediyl(3-oxopropane-3,1-diyl)]}bis(2,4-dihydroxy-3,3-dimethylbutanamide)
English name
PANTETHINE
Molecular formula
C22H42N4O8S2
Molecular weight
554.72088

Names & synonyms

Butanamide, N,N'-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2,4-dihydroxy-3,3-dimethyl- (9CI)

Database identifiers

CAS
138148-35-3、16816-67-4
PubChem CID
4677
DTXSID
DTXSID801015707
ChEMBL
CHEMBL3184321
ChEBI
CHEBI:181909
Nikkaji
J9.880I

Properties

Physicochemical properties

Boiling point
987.2 · 987.2±65.0 °C(Predicted)
Density
1.277 · 1.277±0.06 g/cm3(Predicted)
pka
12.71 · 12.71±0.20(Predicted)

Chemistry & industry

Suppliers3 total

常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]

Additional notes

DefinitionChEBI: Bis(N-pantothenylamidoethyl) disulfide is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.

Related reactions

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Compound notes

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