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Dexpanthenol

CAT: 1299-RM-D161400-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D161400-04Size:100 mg
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CAS Number
81-13-0
Synonyms
(2R) -2,4-Dihydroxy-N- (3-hydroxypropyl) -3,3-dimethylbutanamide
Molecular Formula
C9H19NO4
Molecular Weight
205.25
Target Alternative Name
Dexpanthenol
Product Name Synonym
(2R) -2,4-Dihydroxy-N- (3-hydroxypropyl) -3,3-dimethylbutanamide

Chemical Information

Dexpanthenol

Pantothenol is a monocarboxylic acid amide that is 3,3-dimethylbutanamide substituted by hydroxy groups at positions 2 and 4 and a 3-hydroxypropyl group at the carbomyl nitrogen. It has a role as a cholinergic drug and a provitamin. It is an amino alcohol and a monocarboxylic acid amide.

CAS Number81-13-0
PubChem CID131204
IUPAC Name(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
Molecular FormulaC9H19NO4
Molecular Weight205.25
XLogP-0.9
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity182
SMILES
CC(C)(CO)[C@H](C(=O)NCCCO)O
InChI
InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1
InChIKey
SNPLKNRPJHDVJA-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of Dexpanthenol
CAS: 81-13-0
CID: 131204
Formula: C9H19NO4
MW: 205.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.25
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass205.13140809
Monoisotopic Mass205.13140809
Topological Polar Surface Area89.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity182
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
273364-01Dexpanthenol
CS-O-41579Dexpanthenol D6
AR-P01142-01Dexpanthenol-d6
AR-P01141-01Dexpanthenol (Pantothenyl Alcohol)
AR-P01146-01Dexpanthenol impurity E
AR-P01147-01Dexpanthenol impurity F
AR-P01148-01Dexpanthenol Impurity I
AR-P01149-01Dexpanthenol impurity J
AR-D08016-01Dexpanthenol Racemic Impurity
AR-P30271-01Dexpanthenol Impurity 8

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