Basic information
- Standard SMILES
CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].[Ca+2]- InChIKey
FAPWYRCQGJNNSJ-UBKPKTQASA-L- Molecular formula
- C18H32CaN2O10
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.1682862
Overview
Calcium pantothenate is a polymer.
Names & identifiers
- Preferred name
- Calcium Pantothenate
- IUPAC
- calcium bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate)
Names & synonyms
calcium pantothenate137-08-6D-Calcium pantothenatePantholinCalpanCalcium D-pantothenatePantothenate calciumVitamin B5, calcium saltCalpanatePantothenate de calciumCris PanCalcii pantothenas
Show more names
D-ca pantothenateCalcium pantotenateCa-HOPAPantothenic acid calcium saltBis(pantothenato)calciumDTXSID8040438Calcium pantothenate, d-Dextro calcium pantothenate
Database identifiers
- CAS
137-08-6- PubChem CID
- 443753
- DTXSID
DTXSID8040438- ChEMBL
CHEMBL1901349- ChEBI
CHEBI:31345- UNII
- 568ET80C3D
- EC Number
- 205-278-9
Properties
Computed structural properties
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Calcium Pantothenate) -> CIR (Cosmetic Ingredient Review)
Hair conditioning; Antistatic
Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food
Collision Cross Section204.26 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (26 of 26) of all reports.
Not Classified
Aggregated GHS information provided per 26 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: .beta.-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1)
Regulation (EC) No 1831/2003 (amended)
Calcium Pantothenate: Does not have an individual approval but may be used under an appropriate group standard
EPA Safer ChemicalChemical: Calcium pantothenate
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
D - Dermatologicals
QA - Alimentary tract and metabolism
QD - Dermatologicals
MeSH Pharmacological ClassificationA group of water-soluble vitamins, some of which are COENZYMES.
Uses & manufacturing
UsesCIR ingredient: Calcium Pantothenate
Household ProductsInformation on 21 consumer products that contain Calcium pantothenate in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Skin Conditioning Agents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Cosmetics -> Hair conditioning; Antistatic
General Manufacturing Information.beta.-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1): ACTIVE
Related reactions
5 records
Linked notes
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