Dodeclonium bromide
Also known as Bromuro de dodeclonio, Bromure de dodeclonium, Dodeclonii bromidum
Key facts
What buyers check first
- CAS number
- 15687-13-5
- Formula
- C22H39BrClNO
- Molar mass
- 448.92 g/mol
- EC number
- 239-779-9
- HS code
- 292390
- Category
- Cationic surfactants
What is Dodeclonium bromide?
Plain description, key identifiers and synonyms
Dodeclonium bromide is the organic bromide salt of dodeclonium. It is an antispetic drug and an ingredient found in creams such as Phlebocreme and Sedorrhoide which are recommended for use in some painful anal pathologies (hemorrhoidal crisis). It has a role as an antiseptic drug. It contains a dodeclonium.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-(4-chlorophenoxy)ethyl-dodecyl-dimethylazanium bromide
- CAS number
- 15687-13-5 CAS number cross-checked
- EC number
- 239-779-9
- Molecular formula
- C22H39BrClNO
- UNII
- XD8BU85ZLK
- InChIKey
- CKGHXNXUAQJNMJ-UHFFFAOYSA-M
- InChI
- InChI=1S/C22H39ClNO.BrH/c1-4-5-6-7-8-9-10-11-12-13-18-24(2,3)19-20-25-22-16-14-21(23)15-17-22;/h14-17H,4-13,18-20H2,1-3H3;1H/q+1;/p-1
- SMILES (canonical and isomeric)
- CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=C(C=C1)Cl.[Br-]
Synonyms
- Bromuro de dodeclonio
- Bromure de dodeclonium
- Dodeclonii bromidum
- GR 412
- (2-(p-Chlorophenoxy)ethyl)dodecyldimethylammonium bromide
- Dodeclonii bromidum (INN-Latin)
- [2-(4-chlorophenoxy)ethyl](dodecyl)dimethylazanium bromide
- Dodeclonium bromide (mart.)
- Bromure de dodeclonium (INN-French)
- Bromuro de dodeclonio (INN-Spanish)
- 1-Dodecanaminium, N-(2-(4-chlorophenoxy)ethyl)-N,N-dimethyl-, bromide (1:1)
- (2-(4-chlorophenoxy)ethyl)(dodecyl)dimethylazanium bromide
- 1-Dodecanaminium, N-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyl-, bromide (1:1)
- dodAclonium (cation)
- Dodecaonium Bromide
- 2-(4-chlorophenoxy)ethyl-dodecyl-dimethylazanium, bromide
- n-[2-(4-chlorophenoxy)ethyl]-n,n-dimethyldodecan-1-aminium bromide
- Dodecloniumbromid
- Dodecloniumbromide
- 2-(4-chlorophenoxy)ethyl-dodecyl-dimethylazanium bromide
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 | 448.92 g/molcalc.Computed value |
|---|---|
| Exact mass | 447.1904 Dacalc.Computed value |
| LogP (octanol/water) | 3.72calc.Computed value |
| Topological polar surface area | 9.23 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 15calc.Computed value |
| Heavy atoms | 26calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.73calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Components | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
Precautionary statements (5)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P317If swallowed: Get medical help.
- P330Rinse mouth.
- 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 aidDodeclonium bromide suppliers
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Dodeclonium bromide price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- antiinfective agent
- antiseptic drug
- pharmaceutical
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Dodeclonium bromide is traded under.
Quaternary ammonium salts and hydroxides whether or not chemically defined not elsewhere classified…
- China36.7%
- United States14.2%
- Netherlands9.4%
- South Korea10.7%
- Germany10.1%
- United States9.9%
The HS code shown for Dodeclonium bromide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Dodeclonium bromide, based on the data on this page
What is Dodeclonium bromide?
What is the CAS number of Dodeclonium bromide?
What is the molecular formula and weight of Dodeclonium bromide?
What is Dodeclonium bromide used for?
Is Dodeclonium bromide hazardous?
What is the HS code of Dodeclonium bromide?
Where can I buy Dodeclonium bromide?
What is the price of Dodeclonium bromide?
Guides for buyers
Practical guides that help when you source, ship or handle Dodeclonium bromide
- 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, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
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