Pantethine
Also known as D-Pantethine, Pantomin, Pantetina
Key facts
What buyers check first
- CAS number
- 16816-67-4
- Formula
- C22H42N4O8S2
- Molar mass
- 554.73 g/mol
- EC number
- 240-842-8
- HS code
- 293090
- Category
- Coenzymes and cofactors
What is Pantethine?
Plain description, key identifiers and synonyms
Pantethine is an organic disulfide that consists of two molecules of pantothenic acid linked by amide bonds to a cysteamine disulfide bridging group. It has a role as a coenzyme and a nutraceutical. It is functionally related to a pantothenic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (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
- CAS number
- 16816-67-4 CAS number cross-checkedOther or deprecated CAS: 644967-47-5
- EC number
- 240-842-8
- Molecular formula
- C22H42N4O8S2
- UNII
- 7K81IL792L
- MDL number
- MFCD07357234
- INCI name
- PANTETHINE
- InChIKey
- DJWYOLJPSHDSAL-ROUUACIJSA-N
- 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
- Canonical SMILES
- CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
- Isomeric SMILES
- CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O
Synonyms
- D-Pantethine
- Pantomin
- Pantetina
- Pantosin
- Bis(pantothenamidoethyl) disulfide
- D-Bis(N-pantothenyl-beta-aminoethyl) disulfide
- Bis(N-pantothenylamidoethyl) disulfide
- D-Bis(N-pantothenyl-2-aminoethyl)-disulfide
- (2R)-N-[2-({2-[(2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}ethyl)disulfanyl]ethyl}carbamoyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
- Butanamide, N,N'-(dithiobis(2,1-ethanediylimino(3-oxo-3,1-propanediyl)))bis(2,4-dihydroxy-3,3-dimethyl-, (2R,2'r)-
- Butanamide, N,N'-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2,4-dihydroxy-3,3-dimethyl-, (2R,2'R)-
- (2R)-N-(2-((2-((2-(3-((2R)-2,4-dihydroxy-3,3-dimethylbutanamido)propanamido)ethyl)disulfanyl)ethyl)carbamoyl)ethyl)-2,4-dihydroxy-3,3-dimethylbutanamide
- Bis(2-(3-((2R)-2,4-dihydroxy-3,3-dimethylbutanoylamino)propanoylamino)ethyl) 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
- Lipodel
- (2R,2'R)-N,N'-(((Disulfanediylbis(ethane-2,1-diyl))bis(azanediyl))bis(3-oxopropane-3,1-diyl))bis(2,4-dihydroxy-3,3-dimethylbutanamide)
- LBF disulfide
- (2R,2'R)-N,N'-[Dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2,4-dihydroxy-3,3-dimethylbutanamide]
- (R-(R*,R*))-N,N'-(Dithiobis(ethyleneimino(3-oxopropane-3,1-diyl)))bis(2,4-dihydroxy-3,3-dimethylbutyramide)
- Pantosin (TN)
- D-pantethine anhydrous
- D-Pantethine, LBF disulfide
- Pantethine (Standard)
- Pantethine, D-(p)
- D-Pantethine, analytical standard
Show all 32 synonymsShow fewer synonyms
- Butanamide, N,N'-(dithiobis(2,1-ethanediylimino(3-oxo-3,1-propanediyl)))bis(2- ,4-dihydroxy-3,3-dimethyl-
- Butyramide, N,N'-(dithiobis(ethyleneiminocarbonylethylene))bis(2,4-dihydroxy-3,3-dimethyl-, D-(+)-
- N,N'-(Dithiobis(2,1-ethanediylimino(3-oxo-3,1-propanediyl)))bis(2- ,4-dihydroxy-3,3-dimethylbutanamide
- D-Bis(N-pantothenyl-2-aminoethyl)-disulphide
- (2R,2'R)-N,N'-{Disulfanediylbis[ethane-2,1-diylazanediyl(3-oxopropane-3,1-diyl)]}bis(2,4-dihydroxy-3,3-dimethylbutanamide)
- (2R,2'R)-N,N'-{disulfanediylbis[ethane-2,1-diylimino(3-oxopropane-3,1-diyl)]}bis(2,4-dihydroxy-3,3-dimethylbutanamide)
- N,N'-[dithiobis[2,1-ethanediylimino(3-oxo-3,1-propanediyl)]]bis[2,4-dihydroxy-3,3-dimethylbutanamide]
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 554.73 g/molcalc.Computed value |
|---|---|
| Exact mass | 554.2444 Dacalc.Computed value |
| LogP (octanol/water) | -1.63calc.Computed value |
| Topological polar surface area | 197.3 Ųcalc.Computed value |
| Hydrogen bond donors | 8calc.Computed value |
| Hydrogen bond acceptors | 10calc.Computed value |
| Rotatable bonds | 19calc.Computed value |
| Heavy atoms | 36calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.82calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H400Very toxic to aquatic life.
Precautionary statements (3)
- P273Avoid release to the environment.
- P391Collect spillage.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidPantethine suppliers
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- Price on request
- China ManufacturerUnclaimed profileD-PantethineGrade, purity and minimum order on requestPrice on request
- Price on request
- China, ShanghaiUnclaimed profilePantethineGrade, purity and minimum order on requestPrice on request
- Price on request
- ChinaUnclaimed profileD-PantethineGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileD-PantethineGrade, purity and minimum order on requestPrice on request
- United States, Florida ManufacturerUnclaimed profilePantethineGrade, purity and minimum order on requestPrice on request
- Price on request
- China, KunshanUnclaimed profilePantethineGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
10 suppliers in 2 countries
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Pantethine price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Use classes: Cosmetics.
Industries and functions
Cosmetic ingredient, INCI name PANTETHINE(skin conditioning - emollient, hair conditioning)
Roles
- coenzyme
- cofactor
- nutraceutical
- pharmaceutical
Functional uses
- Softener and conditioner
Cosmetic functions
- Hair conditioning
- Skin conditioning - emollient
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Pantethine is traded under.
Organo-sulphur compounds, other
- China40.7%
- United States10.9%
- Japan9.3%
- United States13.3%
- Brazil12.6%
- China6.6%
The HS code shown for Pantethine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Pantethine, based on the data on this page
What is Pantethine?
What is the CAS number of Pantethine?
What is the molecular formula and weight of Pantethine?
What is Pantethine used for?
Is Pantethine hazardous?
What is the HS code of Pantethine?
Where can I buy Pantethine?
What is the price of Pantethine?
Guides for buyers
Practical guides that help when you source, ship or handle Pantethine
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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