Pemirolast
Also known as Pemirolastum, Pemirox, Permirolast
Key facts
What buyers check first
- Appearance
- Crystals from dimethylformamide
- Melting point
- 310 to 311 °C
- Solubility
- In water, 1.9 × 10⁺⁴ mg/L at 25 °C /Estimated/
- HS code
- 293359
- Category
- Heterocyclic building blocks
What is Pemirolast?
Plain description, key identifiers and synonyms
Pemirolast is a pyridopyrimidine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 9-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
- CAS number
- 69372-19-6 CAS number cross-checkedOther or deprecated CAS: 100299-08-9
- Molecular formula
- C10H8N6O
- UNII
- 2C09NV773M
- InChIKey
- HIANJWSAHKJQTH-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)
- SMILES (canonical and isomeric)
- CC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3
Synonyms
- Pemirolastum
- Pemirox
- Permirolast
- 9-Methyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
- 4H-Pyrido(1,2-a)pyrimidin-4-one, 9-methyl-3-(1H-tetrazol-5-yl)-
- 9-methyl-3-(1H-tetrazol-5-yl)-4H-pyrido(1,2-a)pyrimidin-4-one
- 9-methyl-3-(2H-1,2,3,4-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
- 9-methyl-3-(2H-1,2,3,4-tetrazol-5-yl)-4H-pyrido(1,2-a)pyrimidin-4-one
- 9-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
- Pemirolast (INN)
- 9-Methyl-3-(2H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
- Pemiroplast Potassium
- Pemirox (TN)
- 9-Methyl-3-(1H-tetrazol-5-yl)-4H-pyrido-[1,2-a]-pyrimidin-4-one
- 9-Methyl-3-(1 H-tetrazol-5-yl)-4H-pyrido-[1,2-a]-pyrimidin-4-one
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
| Appearance | Crystals from dimethylformamideexp.Measured value |
|---|---|
| Melting point | 310 to 311 °Cexp.Measured value |
| Solubility | In water, 1.9 × 10⁺⁴ mg/L at 25 °C /Estimated/exp.Measured value |
| Vapour pressure | 3.3 × 10⁻⁶ mm Hg at 25 °C /Estimated/exp.Measured value |
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 | 228.22 g/molcalc.Computed value |
|---|---|
| Exact mass | 228.076 Dacalc.Computed value |
| LogP (octanol/water) | 0.18calc.Computed value |
| Topological polar surface area | 88.83 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 17calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.1calc.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
![Murcko scaffold of this chemical, O=c1c(-c2nn[nH]n2)cnc2ccccn12](/scaffold/FDESMPVXUFITNN-UHFFFAOYSA-N/structure.svg)
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.
Pemirolast suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- 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
1 supplier in 1 country
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Pemirolast 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
Medication: antiallergic.
Industries and functions
Pharmacological actions
- Histamine Antagonists
Roles
- anti-allergic agent
- anti-asthmatic agent
- pharmaceutical
Pharmacology
Pemirolast is a Mast Cell Stabilizer. The physiologic effect of pemirolast is by means of Decreased Histamine Release.
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 Pemirolast is traded under.
Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other
- Ireland43.6%
- Switzerland * partner reported26.3%
- China7.9%
- Slovenia30.3%
- United States30.1%
- Germany15.3%
* Partner reported figures, a lower bound.
The HS code shown for Pemirolast 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
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![9-Methyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-imine chemical structure, C10H9N7, CAS 132056-88-3](/s/WRXAQDORXXOKHK-UHFFFAOYSA-N.svg)
![7,9-Dimethyl-3-(2H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C11H10N6O, CAS 69372-20-9](/s/KUFLXDGNNJTWJS-UHFFFAOYSA-N.svg)
![9-Methyl-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C15H12N2O, CAS 1089342-82-4](/s/VZAMRDJRQNUTKF-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![5-Amino-2-phenyl-3H-triazolo[4,5-d]pyrimidin-7-one chemical structure, C10H8N6O, CAS 6295-27-8](/s/OIAXNBVLMBXWJU-UHFFFAOYSA-N.svg)
![6-[(2E)-2-(Furan-2-ylmethylidene)hydrazinyl][1,2,4]triazolo[4,3-b]pyridazine chemical structure, C10H8N6O, CAS 672265-55-3](/s/HAIMIPJYVWJKTB-IZZDOVSWSA-N.svg)
![5-N-Phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine chemical structure, C10H8N6O, CAS 293760-70-0](/s/GKJJLDJOZRUEJY-UHFFFAOYSA-N.svg)
![5-Amino[1,2,3]triazolo[1,5-a]quinazoline-3-carboxamide chemical structure, C10H8N6O, CAS 52459-32-2](/s/ZAPWLPOSXSOYIG-UHFFFAOYSA-N.svg)
![4H-Pyrido[1,2-a]pyrimidin-4-one, 7-methyl-3-(1H-tetrazol-5-yl)- chemical structure, C10H8N6O, CAS 69372-14-1](/s/YTCLGSRITIFOKR-UHFFFAOYSA-N.svg)
![4H-Pyrido[1,2-a]pyrimidin-4-one, 8-methyl-3-(1H-tetrazol-5-yl)- chemical structure, C10H8N6O, CAS 69372-15-2](/s/CNMREJAGHMAVGQ-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Pemirolast, based on the data on this page
What is Pemirolast?
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What is the molecular formula and weight of Pemirolast?
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Guides for buyers
Practical guides that help when you source, ship or handle Pemirolast
- 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
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