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ChemicalBook--->CAS DataBase List--->79-83-4

79-83-4

79-83-4 Structure

79-83-4 Structure
IdentificationBack Directory
[Name]

D-PANTOTHENIC ACID
[CAS]

79-83-4
[Synonyms]

Pantothenic
PANTOTHENATE
D-VITAMIN B(5)
pantothenicacid
Ca pantothenaat
(R)-Pantothenate
d-pantothenicaci
D-PANTOTHENIC ACID
(+)-pantothenicacid
kyselinapantothenova
(R)-Pantothenic acid
D-calcim pantothenate
chickantidermatitisfactor
Pantothenic acid, D-(8CI)
D.CALCIUM PANTOTHENATE USP/IP
D-Pantothenic acid(Vitamin B5)
Pantothenic acid(pantothenate)
vitaminb5,pantothenicacid,pantothenate
(VITAMIN B5,D-PANTOTHENIC ACID) USP GRADE
D(+)-N-(2,4-Dihy-droxy-3,3-dimethylbutyryl)-alanine
(R)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine
4-dihydroxy-3,3-dimethyl-1-oxobutyl)-n-((r)-beta-alanin
N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-β-alanine
(R)-3-(2,4-Dihydroxy-3,3-diMethylbutanaMido)propanoic acid
β-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-
3-[(2R)-2,4-dihydroxy-3,3-diMethylbutanaMido]propanoic acid
.beta.-Alanine, N-(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl-
N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,(R)-.beta.-Alanine
3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid
(-)-3-[[(S)-2,4-Dihydroxy-3,3-dimethylbutyryl]amino]propionic acid
(d,+)-n(alpha-gamma-dihydroxy-beta,beta-dimethylbutyryl)-beta-alanine
[EINECS(EC#)]

205-278-9
[Molecular Formula]

C9H17NO5
[MDL Number]

MFCD00020513
[MOL File]

79-83-4.mol
[Molecular Weight]

219.23
Chemical PropertiesBack Directory
[Melting point ]

178-179℃
[alpha ]

D25 +37.5°
[Boiling point ]

360.05°C (rough estimate)
[density ]

1.266
[refractive index ]

1.4315 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Oil to Gel
[pka]

4.30±0.10(Predicted)
[color ]

Colourless
[Stability:]

Hygroscopic
[LogP]

-0.856 (est)
[Uses]

Vitamin B5 is water-soluble. It is required for proper growth and maintenance of the body and is involved in body processes such as energy release from carbohydrates and metabolism of fatty acids. It is relatively stable through storage and is found in liver, eggs, and meat.
[EPA Substance Registry System]

D-Pantothenic acid (79-83-4)
Hazard InformationBack Directory
[Usage]

Labelled Pantothenic Acid
[Physical properties]

Pantothenic acid is composed of β-alanine joined to 2,4-dihydroxy-3,3- dimethylbutyric acid via an amide linkage. The molecule has an asymmetric center, and only the R-enantiomer, usually called D-(+)pantothenic acid, is biologically active and occurs naturally. Appearance: pantothenic acid is a yellow, viscous oil. Its calcium and other salts, however, are colorless crystalline substances; calcium pantothenate is the main product of commerce. Solubility: neither form is soluble in organic solvents, but each is soluble in water and ethanol. Stability: aqueous solu tions of pantothenic acid are unstable when heated under acidic or alkaline conditions
[Originator]

Panto-250 , Bio-Tech Pharmacal
[Definition]

ChEBI: (R)-pantothenic acid is a pantothenic acid having R-configuration. It has a role as an antidote to curare poisoning, a human blood serum metabolite and a geroprotector. It is a vitamin B5 and a pantothenic acid. It is a conjugate acid of a (R)-pantothenate.
[Manufacturing Process]

Isobutylaldehyde reacted with formaldehyde in the presence potassium chromate as a result 2,2-dimethyl-3-hydroxy-propanal was obtained.
The 2,2-dimethyl-3-hydroxy-propanal was treated by sodium cyanide so 2,4dihydroxy-3,3-dimethyl-butironitrile was prepared.
The 2,4-dihydroxy-3,3-dimethyl-butironitrile was treated hydrochloric acid and D,L-3-hydroxy-4,4-dimethyl-dihydro-furan-2-one (D,L-pantolacton) was obtained. The racemic mixture of D- and L-pantolactons was a division of Dand L- isomers by the adding of α-phenylethylamine. So D-pantolacton was isolated.
Acrylic acid contacted with NH3and β-alanine was obtained.
D-Pantalacton reacted with β-alanine as a result 3-(2,4-dihydroxy-3,3dimethyl-butyrylamino)-propanoic acid was produced
[Brand name]

Calpan (BASF); Pantholin (Lilly).
[Therapeutic Function]

Vitamin
[Safety Profile]

Moderately toxic by subcutaneous and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Calcium D-Pantothenate-->Isobutyraldehyde-->Hydrochloric acid-->Sodium cyanide-->Potassium chromate-->Formaldehyde-->1,3-Dioxane-4-carboxamide, 2,2,5,5-tetramethyl-, (4R)--->D-(-)-PANTOLACTONE-->3-AMINO-PROPIONIC ACID ETHYL ESTER-->β-Alanine
[Preparation Products]

Coenzyme A-->phosphopantothenic acid
Safety DataBack Directory
[Hazardous Substances Data]

79-83-4(Hazardous Substances Data)
[Toxicity]

LD50 intraperitoneal in mouse: 1443mg/kg
Spectrum DetailBack Directory
[Spectrum Detail]

D-PANTOTHENIC ACID(79-83-4)MS
D-PANTOTHENIC ACID(79-83-4)1HNMR
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