Key facts
What buyers check first
- CAS number
- 89778-26-7
- Formula
- C26H28ClNO
- Molar mass
- 405.97 g/mol
- EC number
- 618-298-1
- HS code
- 292229
- Category
- Hormones and steroids
What is Toremifene?
Plain description, key identifiers and synonyms
Toremifene is a tertiary amine, an aromatic ether and an organochlorine compound. It has a role as an antineoplastic agent, a bone density conservation agent, an estrogen receptor modulator and an estrogen antagonist. It derives from a hydride of a stilbene.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
- CAS number
- 89778-26-7 CAS number cross-checkedOther or deprecated CAS: 275360-73-1
- EC number
- 618-298-1
- Molecular formula
- C26H28ClNO
- UNII
- 7NFE54O27T
- MDL number
- MFCD00801070
- InChIKey
- XFCLJVABOIYOMF-QPLCGJKRSA-N
- InChI
- InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-
- Canonical SMILES
- CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1
- Isomeric SMILES
- CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3
Synonyms
- Acapodene
- Farestone
- Toremifeno
- Toremifenum
- Chlortamoxifen
- Toremiphene
- GTx-006
- (Z)-2-(4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine
- (2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
- Ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-
- Ethanamine, 2-(4-((1Z)-4-chloro-1,2-diphenyl-1-buten-1-yl)phenoxy)-N,N-dimethyl-
- (2-(4-((1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethyl)dimethylamine
- 2-(4-((Z)-4-chloro-1,2-di(phenyl)but-1-enyl)phenoxy)-N,N-dimethylethanamine
- 2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine
- (Z)-4-Chloro-1,2-diphenyl-1(4-(2-(N,N-dimethylamino)ethoxy)phenyl)-1-butene
- Toremifene Base
- Toremifene (INN)
- 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
- Z-Toremifene
- Ethanamine, 2-(4-((1Z)-4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-
- 2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine
- GTx 006
- Estrimex
- 2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethan-1-amine
- 89778-26-7 (free base)
Show all 28 synonymsShow fewer synonyms
- 2-(para-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine (IUPAC)
- Toremifene impurity 01
- Toremifene(GTx 006)
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 | 405.97 g/molcalc.Computed value |
|---|---|
| Exact mass | 405.1859 Dacalc.Computed value |
| LogP (octanol/water) | 6.22calc.Computed value |
| Topological polar surface area | 12.47 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 9calc.Computed value |
| Heavy atoms | 29calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.23calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)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
C(=C(c1ccccc1)c1ccccc1)c1ccccc1
3 rings, 20 atoms, the Triphenylethylene ring system.
482 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.
Toremifene suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United StatesUnclaimed profileToremifeneGrade, purity and minimum order on requestPrice on request
- Price on request
- Price on request
- United States, HopkintonUnclaimed profileToremifeneGrade, purity and minimum order on requestPrice on request
- China, HangzhouUnclaimed profileToremifeneGrade, purity and minimum order on requestPrice on request
- United States, St. PaulUnclaimed profileToremifeneGrade, purity and minimum order on requestPrice on request
- United States, West ChicagoUnclaimed profileToremifeneGrade, purity and minimum order on requestPrice on request
- Hong Kong, CentralUnclaimed profileToremifeneGrade, purity and minimum order on requestPrice 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
8 suppliers in 3 countries
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Toremifene 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
Use classes: Pharmaceuticals.
Industries and functions
Pharmacological actions
- Antineoplastic Agents, Hormonal
- Bone Density Conservation Agents
- Selective Estrogen Receptor Modulators
Roles
- antagonist
- antimicrobial agent
- antineoplastic agent
- antiviral agent
- bone density conservation agent
- estrogen antagonist
- estrogen receptor modulator
- hormone antagonist
- hormone receptor modulator
- pharmaceutical
- receptor modulator
Functional uses
- Pharmaceutical
Pharmacology
Toremifene is an Estrogen Agonist/Antagonist. The mechanism of action of toremifene is as a Selective Estrogen Receptor Modulator.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Toremifene is traded under.
Amino-naphthols and other amino-phenols, other than those containing more than one kindโฆ
- India * partner reported25.8%
- United States14.4%
- South Korea7.6%
* Partner reported figures, a lower bound.
The HS code shown for Toremifene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Toremifene, based on the data on this page
What is Toremifene?
What is the CAS number of Toremifene?
What is the molecular formula and weight of Toremifene?
What is Toremifene used for?
Is Toremifene hazardous?
What is the HS code of Toremifene?
Where can I buy Toremifene?
What is the price of Toremifene?
Guides for buyers
Practical guides that help when you source, ship or handle Toremifene
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.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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