Butaperazine
Also known as Butyrylperazine, Megalectil, Randolectil
Key facts
What buyers check first
- Melting point
- 180 to 182 °C
- Boiling point
- 270 to 280 °C
- Solubility
- 1 G IN 400 ML WATER, SOL IN DIMETHYLFORMAMIDE, SPARINGLY SOL IN ALCOHOL & METHANOL, INSO…
- HS code
- 293430
- Category
- Screening compounds
What is Butaperazine?
Plain description, key identifiers and synonyms
Butaperazine is a member of phenothiazines.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one
- CAS number
- 653-03-2 CAS number cross-checkedOther or deprecated CAS: 80463-18-9
- EC number
- 211-493-9
- Molecular formula
- C24H31N3OS
- UNII
- TXP4T9106S
- InChIKey
- DVLBYTMYSMAKHP-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3
- SMILES (canonical and isomeric)
- CCCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C
Synonyms
- Butyrylperazine
- Megalectil
- Randolectil
- Emerex
- Repoise
- Riker 595
- Bayer 1362
- Butyrylyperazine
- Perazine, butyryl-
- Perazine, (1-oxobutyl)-
- AHR 712
- RIKER-595
- BAYER-1362
- 1-Butanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)-10H-phenothiazin-2-yl)-
- 1-(10-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-1-butanone
- 1-Butanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-
- 2-Butyryl-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine
- N-(gamma-(4'-Methyl-1'-piperazinyl)propyl)-3-butyrylphenothiazine
- 1-(10-(3-(4-Methyl-1-piperazinyl)-propyl)-10H-phenothiazin-2-yl)-1-butanone
- 1-{10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazin-2-yl}butan-1-one
- 1-Butanone, 1-[10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazin-2-yl]-
- 2-Butyryl-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine
- 1-{10-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazin-2-yl}-1-butanone
- Emere
- 1-(10-[3-(4-Methyl-1-piperazinyl)propyl]phenothiazin-2-yl)-1-butanone
Show all 34 synonymsShow fewer synonyms
- 1-{10-[3-(4-Methyl-1-piperazinyl)propyl]phenothiazin-2-yl}-1-butanone
- 1-(10-(3-(4-methylpiperazin-1-yl)propyl)-10H-phenothiazin-2-yl)butan-1-one
- Butaperazina
- Butaperazine Dihydrochloride
- Tyrylen
- 1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]butan-1-one
- Butyrylperazine, Emerex, Megalectil
- Butaperazine (USAN)
- Butaperazinum
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
| Melting point | 180 to 182 °Cexp.Measured value |
|---|---|
| Boiling point | 270 to 280 °Cexp.Measured value |
| Solubility | 1 G IN 400 ML WATER, SOL IN DIMETHYLFORMAMIDE, SPARINGLY SOL IN ALCOHOL & METHANOL, INSOL IN ACETONE, CHLOROFORM, & ETHER /MALEATE/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 | 409.60 g/molcalc.Computed value |
|---|---|
| Exact mass | 409.2188 Dacalc.Computed value |
| LogP (octanol/water) | 4.91calc.Computed value |
| Topological polar surface area | 26.79 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 29calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.46calc.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
c1ccc2c(c1)Sc1ccccc1N2CCCN1CCNCC1
4 rings, 23 atoms, the 10-Piperazinylpropylphenothiazine ring system.
206 other chemicals share this scaffoldSafety 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.
Butaperazine suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Butaperazine can send you quotes. Your contact details stay private until you accept a quote.
Butaperazine 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
Antipsychotic.
Use classes: Pharmaceuticals.
Industries and functions
Roles
- antipsychotic agent
- central nervous system depressant
- central nervous system drug
- pharmaceutical
- psychotropic drug
- tranquilizing drug
How it is made
Hoerlein et al, German patent 1,120,451 (1961 to Bayer), CA 57, 4677c (1962).
1-Methylpiperazine is condensed with 10-(3-chloropropyl)phenothiazin-2-yl propyl ketone by refluxing mixt in inert solvent in presence of dehydrochlorinating agent such as sodamide. Resulting butaperazine is then reacted with double equimolar portion of maleic acid. ... Us patent 2,985,654. (Maleate)
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 Butaperazine is traded under.
Compounds containing in the structure a phenothiazine ring-system (whether or not…
- United States14.2%
- Brazil12.7%
- India * partner reported10.6%
* Partner reported figures, a lower bound.
The HS code shown for Butaperazine 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
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![[10-[4-(4-Methylpiperazin-1-yl)butyl]phenothiazin-2-yl]-phenyl-methanone chemical structure, C28H31N3OS, CAS 907547-06-2](/s/YVRLVNJCHMOEHI-UHFFFAOYSA-N.svg)
![1-{10-[3-(Piperazin-1-yl)propyl]-10H-phenothiazin-3-YL}butan-1-one chemical structure, C23H29N3OS, CAS 89929-18-0](/s/HHRSWJBQJDADMQ-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![3-[(4-tert-Butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole chemical structure, C24H31N3OS, CAS 5548-15-2](/s/MXSFUMPTLKPDQN-UHFFFAOYSA-N.svg)
![N-[5-(1-Adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-3-methylbutanamide chemical structure, C24H31N3OS, CAS 392320-23-9](/s/XXHZYVWEASTZQY-UHFFFAOYSA-N.svg)
![N-[5-(1-Adamantyl)-1,3,4-thiadiazol-2-yl]-N-benzyl-2,2-dimethylpropanamide chemical structure, C24H31N3OS, CAS 392320-17-1](/s/RYKUQJZGPAINJB-UHFFFAOYSA-N.svg)
![1-[2-(2,5-Dimethyl-1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]thiourea chemical structure, C24H31N3OS, CAS 686751-51-9](/s/YGXGOSGMTFSLRP-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Butaperazine, based on the data on this page
What is Butaperazine?
What is the CAS number of Butaperazine?
What is the molecular formula and weight of Butaperazine?
What is Butaperazine used for?
Is Butaperazine hazardous?
What is the HS code of Butaperazine?
Where can I buy Butaperazine?
What is the price of Butaperazine?
Guides for buyers
Practical guides that help when you source, ship or handle Butaperazine
- 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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