Basic information
- CAS
63409-48-3- Standard SMILES
CC(C)(CO)C(O)C(=O)NCCC(=O)[O-].CC(C)(CO)C(O)C(=O)NCCC(=O)[O-].[Ca+2]- InChIKey
FAPWYRCQGJNNSJ-UHFFFAOYSA-L- Molecular formula
- C18H32CaN2O10
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.1682861
Overview
Calcium DL-pantothenate is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.
Names & identifiers
- Preferred name
- beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)
- IUPAC
- calcium bis(3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate)
- English name
- Pantothenic acid calcium salt monohydrate
- Molecular formula
- C9H21CaNO6
- Molecular weight
- 279.35
Names & synonyms
.beta.-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1)RefChem:5671356381-63-1Calcium Pantothenate, RacemicCALCIUM DL-PANTOTHENATEDL-Calcium pantothenateDL-Pantothenic Acid Calcium SaltCalcium 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate63409-48-3Calcium DL-pantothenate (1:2)calcium;3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate
Show more names
Pantothenic acPANTOTHENIC ACID CACalcium pantothenic hydrateCALCIUM PANTOTHENATE HYDRATEDL-PANTOTHENIC ACID HEMICALCIUMCALCIUM PANTOTHENIC ACID HYDRATECalcium DL-pantothenate monohydrateDL-PANTOTHENIC ACID CALCIUM SALT 95+%(+)-Pantothenic acid calcium salt hydratePantothenic acid calcium salt monohydrate
D -Calcium pantothenateCalcium pantothenate,racemic2KC899R47QCalcium pantothenate, racemic [USP]Calcium (1)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninate305808-23-5Calcium pantothenate, racemic (USP)Calcium D-Panthotenate
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
Physicochemical properties
- Melting point
- 138 °C · 138 °C (dec.)(lit.)
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 63409 · 63409-48-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · 3
- HS Code
- 28353990 · 28353990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information.beta.-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1): Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- hs_code
- 28353990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information.beta.-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1): INACTIVE
Applications
Usesvitamin B5
UsesCalcium DL-Pantothenate can be used for the characterization of carbon-containing aerosolized drugs using laser-induced breakdown spectroscopy.
Upstream & downstream products
Upstream raw materials
Suppliers43 total
成都彼样生物科技有限公司18108052721 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
2 records
Compound notes
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