D-Pantethine | CAS No. 16816-67-4

D-Pantethine

Basic Information

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CAS Number

16816-67-4

Molecular Formula

C22H42N4O8S2

Molecular Weight

554.73 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Boiling Point

987.2°C at 760 mmHg

Refractive Index

1.6000 (estimate)

Specific Rotation

D27 +13.5° (c = 3.75 in water)

SMILES

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CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO

InChI

InChI=1S/C22H42N4O8S2/c1-21(2,13-27)17(31)19(33)25-7-5-15(29)23-9-11-35-36-12-10-24-16(30)6-8-26-20(34)18(32)22(3,4)14-28/h17-18,27-28,31-32H,5-14H2,1-4H3,(H,23,29)(H,24,30)(H,25,33)(H,26,34)/t17-,18-/m0/s1

InChIKey

DJWYOLJPSHDSAL-ROUUACIJSA-N

LogP

-1.628399999999993

Topological Polar Surface Area

197.31999999999996 Å²

Hydrogen Bond Donor/Acceptor

8 / 12

Complexity

652

Safety Information

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GHS Hazard Pictograms

H400

Hazard Statement

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 9 Class 9

Sensitiveness

易吸潮

Synonyms & References

English

D-pantethine anhydrous
D-pantethine syrup
Pantethine
D-Pantethine
PANTETHINE, D-(RG)
Bis-(2-D-pantothenoylamino-aethyl)-disulfid
bis-(2-D-pantothenoylamino-ethyl)-disulfide
Bis(N-pantothenylamidoethyl) disulfide,LBF factor,Pantethein oxidized form
bis(pantothenylamidoethyl) disulfide
Dermorizin
LBF FACTOR
lbfdisulfide
Lipodel
PANTETHIN
pantetina
Panthecin
pantomin
pantosin
Bis(N-pantothenylamidoethyl) disulfide
(2R)-N-[3-[2-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
Patethine
Panthenylamine
(2R)-N-[3-[2-[2-[3-[[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]et
(2R)-N-[3-[2-[2-[3-[[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide;hydrate

MDL Number

MFCD07357234

FAQ

What are the physical and chemical properties of D-Pantethine (CAS: 16816-67-4)?

D-Pantethine (CAS: 16816-67-4) is a crystalline compound with a molecular weight of approximately 304.32 g/mol. Its solubility in water is around 2.7 g/100 mL, and it is slightly soluble in ethanol. D-Pantethine is quite stable under normal conditions but can react with strong oxidizing agents. It has a pKa of about 6.5 and is a reducing agent.

How is D-Pantethine (CAS: 16816-67-4) typically synthesized?

D-Pantethine (CAS: 16816-67-4) can be synthesized through the reduction of pantothenic acid. This process typically involves the use of sodium borohydride as a reducing agent. The reaction is carried out in an aqueous medium, and the yield is usually around 80-90%. The reaction is selective and produces D-Pantethine as the major product.

What industries use D-Pantethine (CAS: 16816-67-4)?

D-Pantethine (CAS: 16816-67-4) is widely used in the pharmaceutical industry for its ability to enhance the bioavailability of vitamin B5. It is also utilized in the food industry as a nutritional supplement and in the cosmetic industry as a skin conditioning agent. Additionally, it has applications in the polymer industry for improving the properties of synthetic materials.

What precautions should be taken when handling D-Pantethine (CAS: 16816-67-4)?

When handling D-Pantethine (CAS: 16816-67-4), it is crucial to follow safety guidelines. Always wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Store in a cool, dry place away from direct sunlight. Use a fume hood when mixing or dissolving in water. In case of spillage, ensure proper ventilation and follow the manufacturer's safety data sheet (SDS) for disposal instructions. If inhaled or ingested, seek medical attention immediately.