UCSF

ZINC12404516

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 29 No

Popular Name: Toremifene Toremifene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 89778-26-7 , 89778-27-8 , [89778-26-7] , [89778-27-8]

Other Names:

(Z)-2-(4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine

(Z)-2-(4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine; 2-(p-[(Z)-4-chloro-1,2-diphenyl-1-butenyl]-phenoxy)-N,N-dimethyl-ethylamine citrate(1:1); 2-(para-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine (IUPAC); Acap

(Z)-4-Chloro-1,2-diphenyl-1-(4-(2-(N,N-dimethylamino)ethoxy)phenyl)-1-butene citrate (1:1); 2-(p-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1); 2-(para-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylami

ifen(e)

2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine

2-(p-[(Z)-4-chloro-1,2-diphenyl-1-butenyl]-phenoxy)-N,N-dimethyl-ethylamine citrate(1:1)

2-(para-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine (IUPAC)

2-({4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenyl}oxy)-N,N-dimethylethanamine

2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine

89778-26-7

89778-26-7; C08166; Toremifene

89778-26-7; D08620; Fareston (TN); Toremifene (INN)

89778-27-8 (citrate (1:1))

89778-27-8; D00967; Fareston (TN); Toremifene citrate (JAN/USAN)

98644-21-4

AC-1751

AC1MHJ33

Acapodene

BIDD:ER0222

BIDD:GT0211

BIDD:PXR0202

C08166

CCRIS 8745

CHEBI:9635

CHEMBL1655

CID3005573

CPD000469213; SAM001246774; TOREMIFENE CITRATE

CPD000469213; TOREMIFENE CITRATE

D08620

DAP000793

DB00539

Estrimex

Ethanamine, 2-(4-((1Z)-4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-

Ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-

Fareston

Fareston, Acapodene

Farestone

FC-1157a

GTx 006

GTx-006

GTX-006 (Acapodene)

HMS2090B22

INN)

INN); Toremifene Citrate (FDA

LS-7729

MFCD00801070

MFCD01729016

MolPort-002-508-208

NCGC00160530-01

NK-622

QA-8291

STK626445

STOCK6S-27411

Toremifene (BAN

Toremifene (Citrate)

Toremifene (INN)

Toremifene Base

Toremifene Citrate

Toremifene Citrate (1:1)

Toremifene Citrate (Fareston, Acapodene)

Toremifene Citrate (FDA

Toremifene [INN:BAN]

toremifene; toremifeno; toremifenum

Toremifeno

Toremifeno [Spanish]

Toremifenum

Toremifenum [Latin]

TOREMIPHENE CITRATE

UNII-7NFE54O27T

USAN)

USAN); Toremifene (BAN

Z-Toremifene

{2-[4-(4-Chloro-1,2-diphenyl-but-1-enyl)-phenoxy]-ethyl}-dimethyl-amine

Download: MOL2 SDF SMILES Flexibase

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.06 16.43 -36.85 1 2 1 14 406.977 9 ↓
Hi High (pH 8-9.5) 6.06 13.9 -5.35 0 2 0 12 405.969 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.09e-04 g/l DrugBank-approved
Purity 98% APIChem
Therapy antineoplastic, anti-estrogen SMDC Pharmakon
Indications breast cancer KeyOrganics Bioactives
Patent Database Links EP0843999; EP0911321; EP1125582; EP1133996; EP1192945; EP1438962; EP1618896; EP1623712; EP1738759; EP1808173; EP1862165; EP1873258; EP1908463; EP1935415; EP1938798; EP1980246; US2002016368; US2002165255; US2003008895; US2003105092; US2004176461; US2005009 ChEBI
UniProt Database Links ESR1_HUMAN ChEBI
Target Estrogen/progestogen Receptor Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02530t; 1 citric acid NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02530t; SALT: 1 citric acid NIH Clinical Collection via PubChem

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