Almitrine
Also known as Almitrin, Almitrina, Almitrinum
Key facts
What buyers check first
- CAS number
- 27469-53-0
- Formula
- C26H29F2N7
- Molar mass
- 477.56 g/mol
- EC number
- 248-475-5
- HS code
- 293369
- Category
- Screening compounds
What is Almitrine?
Plain description, key identifiers and synonyms
Almitrine is a triamino-1,3,5-triazine compound having allylamino substituents at the 2- and 4-positions and a 4-(bis(p-fluorophenyl)methyl)-1-piperazinyl group at the 6-position. It has a role as a central nervous system stimulant. It is a member of piperazines and a triamino-1,3,5-triazine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
- CAS number
- 27469-53-0 CAS number cross-checked
- EC number
- 248-475-5
- Molecular formula
- C26H29F2N7
- UNII
- 9A1222NBG4
- InChIKey
- OBDOVFRMEYHSQB-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)
- SMILES (canonical and isomeric)
- C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C
Synonyms
- Almitrin
- Almitrina
- Almitrinum
- SE 5023
- 2,4-Bis(allylamino)-6-(4-(bis(p-fluorophenyl)methyl)-1-piperazinyl)-s-triazine
- 1,3,5-Triazine-2,4-diamine, 6-(4-(bis(4-fluorophenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-
- Almitrine Bis(methanesulfonate)
- 6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-2-N,4-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
- 6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-N,4-N-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
- Monomesylate, Almitrine
- Almitrine (INN)
- 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
- 1-(4,6-Bis(allylamino)-2-s-triazinyl)-4-(4,4'-difluorobenzhydryl)piperazine
- 6-(4-(Bis(4-fluorphenyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazin-2,4-diamin
- N,N'-diallyl-6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-1,3,5-triazine-2,4-diamine
- 6-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-N2,N4-bis(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
- 1-(4,6-Bis(allylamino)-2-s-triazinyl)-4-(4,4 inverted exclamation marka-difluorobenzhydryl)piperazine
- 6-(4-(Bis(4-fluorophenyl)methyl)1-piperazinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine
- 6-{4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl}-N~2~,N~4~-di(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
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 | 477.56 g/molcalc.Computed value |
|---|---|
| Exact mass | 477.2453 Dacalc.Computed value |
| LogP (octanol/water) | 4.26calc.Computed value |
| Topological polar surface area | 69.21 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 10calc.Computed value |
| Heavy atoms | 35calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.27calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.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
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Almitrine suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United StatesUnclaimed profileAlmitrineGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileAlmitrineGrade, purity and minimum order on requestPrice on request
- Price on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
5 suppliers in 3 countries
Send one request to many suppliers
Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.
Almitrine 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
Pharmacological actions
- Respiratory System Agents
Roles
- antimicrobial agent
- antiviral agent
- central nervous system drug
- central nervous system stimulant
- pharmaceutical
Pharmacology
Almitrine is a diphenylmethylpiperazine derivative and respiratory stimulant that can be used to improve oxygenation. Upon systemic administration, almitrine targets, binds to and activates the peripheral chemoreceptors located on the carotid bodies. This enhances respiration and increases arterial oxygen tension while decreasing arterial carbon dioxide tension.
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 Almitrine is traded under.
Compounds containing an unfused triazine ring (whether or not hydrogenated) in the…
- United States13.5%
- Brazil9.6%
- Germany9.5%
* Partner reported figures, a lower bound.
The HS code shown for Almitrine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Salt and hydrate forms
Records that share this compound as their parent
Frequently asked questions
Quick answers about Almitrine, based on the data on this page
What is Almitrine?
What is the CAS number of Almitrine?
What is the molecular formula and weight of Almitrine?
What is Almitrine used for?
Is Almitrine hazardous?
What is the HS code of Almitrine?
Where can I buy Almitrine?
Where can I buy Almitrine in India?
What is the price of Almitrine?
Guides for buyers
Practical guides that help when you source, ship or handle Almitrine
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.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
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
Get quotes for Almitrine
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Almitrine with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/almitrine-27469-53-0" title="Almitrine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Screening compounds or HS code 293369