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Chemical substance record

Pantothenol

81-13-0C9H19NO4205.254 g/mol
Organic/Inorganic Small MoleculeChEBI source record

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. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number81-13-0ChEBI ↗
Molecular formulaC9H19NO4ChEBI ↗
Molar mass205.254 g/molChEBI ↗
Monoisotopic mass205.13141 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:27373ChEBI ↗

Cross-source molecular data

PubChem
Molar mass205.25 g/molPubChem ↗
Exact mass205.13140809 DaPubChem ↗
Computed XLogP-0.9PubChem ↗
Topological polar surface area (Ų)89.8PubChem ↗
H-bond donors4PubChem ↗
H-bond acceptors4PubChem ↗
Rotatable bonds6PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
pantothenol
(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
SNPLKNRPJHDVJA-ZETCQYMHSA-N
CC(C)(CO)[C@@H](O)C(=O)NCCCO
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

Names & synonyms

(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamidedexpanthenolIlopan

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
amino alcoholChEBI parent class · 22478 ↗monocarboxylic acid amideChEBI parent class · 29347 ↗
alcoholorganic molecular entity

Roles recorded in ChEBI

cholinergic druganti-ulcer drugprovitaminophthalmology druganti-inflammatory agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00487201 mol

Uses 205.254 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 9 atoms
52.67%
O
Oxygen · 4 atoms
31.18%
H
Hydrogen · 19 atoms
9.33%
N
Nitrogen · 1 atom
6.82%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Pustular irritant contact dermatitis caused by dexpanthenol in a child. ↗Cutaneous and ocular toxicology · 2015 Mar · PMID 24506320
Antimicrobial activity of pantothenol against staphylococci possessing a prokaryotic type II pantothenate kinase. ↗Microbes and environments · 2014 · PMID 24759689
CH227706 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
GB582156 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
US2413077 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:27373

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 131204 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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