(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)dimethylammonium-dihydrogen-2-hydroxypropan-1,2,3-tricarboxylat

Tamoxifen Citrate

HCID 2733525

Grundinformationen

CAS
54965-24-1
Standard-SMILES
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
FQZYTYWMLGAPFJ-OQKDUQJOSA-N
Summenformel
C32H37NO8
Durchschnittliche Molmasse
563,6 g/mol
Monoisotopische Masse
563,25191714

Namen und Bezeichner

Bevorzugter Name
Tamoxifen Citrate
IUPAC
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Lokaler Name
(Z)-(2-(4-(1,2-Diphenylbut-1-enyl)phenoxy)dimethylammonium-dihydrogen-2-hydroxypropan-1,2,3-tricarboxylat
Englischer Name
Tamoxifen citrate
Summenformel
C32H37NO8
Molmasse
563.64

Namen und Synonyme

Tamoxifen citrate54965-24-1ZitazoniumKessarZemideJenoxifenLedertamNourytamNoxitemOncotamTamofenTamofene
Weitere Namen anzeigen
NOLVADEXtamoxifeneTMXSoltaMoxNolvadex(Tamoxifen)Tamoxifen Citrate TabletsTamoxifen Z-isomer citrate(Z)-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylateTMX1TXNDC
TomaxastaZynoplexEmblonNolgenNoltamTamaxICI 46,474DTXSID8021301

Datenbank-Bezeichner

CAS
54965-24-1
PubChem CID
2733525
DTXSID
DTXSID8021301
ChEMBL
CHEMBL786
UNII
7FRV7310N6
EC Number
259-415-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
145 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
9
Frei drehbare Bindungen
13
Schwere Atome
41

Experimentelle und physikochemische Eigenschaften

Collision Cross Section197.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt
140 · 140-144 °C
storage temp.
2 · 2-8°C
Löslichkeit
50 mg/mL, · methanol: soluble50mg/mL, clear, colorless
Aggregatzustand
Powder
Farbe
White to off-white
Biologische Quelle
rabbit

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral];H350 (97.4%): May cause cancer [Danger Carcinogenicity];H360 (96.2%): May damage fertility or the unborn child [Danger Reproductive toxicity];H362 (39.7%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation];H410 (11.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P260, P263, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Hazard Traits - Developmental Toxicity;Authoritative List - Prop 65;Report - regardless of intended function of ingredient in the product

Tamoxifen citrate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 1 Eintrag

IMAP assessments - Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1): Environment tier I assessment;IMAP assessments - Ethanamine, 2-[4-(1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1): Human health tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (97.4%);Carc. 1A (97.4%);Repr. 1A (96.2%);Lact. (39.7%);Aquatic Chronic 1 (11.5%)

Toxikologische Informationen

Drug Induced Liver Injury · 6 Einträge

Drug Induced Liver Injury Rank (DILIrank 2.0)

Tamoxifen citrate

vMost-DILI-concern

8

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

Regulatorische Informationen

Regulatory Information · 2 Einträge

Hazard Traits - Developmental Toxicity;Authoritative List - Prop 65;Report - regardless of intended function of ingredient in the product

Tamoxifen citrate: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
ridadr
UN 3077 9 / PGIII
hs_code
29225090
RTECS-Nr.
KH2387000
risk_code
45-60-61-22-64-36/37/38
Toxizität
LD50 in mice, rats (mg/kg): 200, 600 i.p.; 62.5, 62.5 i.v.; 3000-6000, 1200-2500 orally (Furr, Jordan)

Chemie und Industrie

Pharmakologische Informationen

FDA Pharmacological Classification · 2 Einträge

TAMOXIFEN CITRATE

Estrogen Agonist/Antagonist [EPC]; Selective Estrogen Receptor Modulators [MoA]

MeSH Pharmacological Classification · 4 Einträge

Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.

Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079)

A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63)

Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.

Anwendungen · 2 Einträge

BeschreibungTamoxifen is a non-steroidal compound with structural similarities to diethylstilbestrol. Tamoxifen citrate is an estrogen receptor antagonist/partial agonist. Induces oxidative stress and apoptosis in estrogen receptor-negative cancer cell lines. Displays neuroprotective effects in permanent focal ischemia. Inhibits PKC. Potent agonist at GPR30 (membrane estrogen receptor). Clinically useful breast cancer agent.

VerwendenTamoxifen Citrate is a selective estrogen response modifier (SERM), protein kinase C inhibitor and anti-angiogenetic factor. Tamoxifen is a prodrug that is metabolized to active metabolites 4-hydroxytamoxifen (4-OHT) and endoxifen by cytochrome P450 isoforms CYP2D6 and CYP3A4.

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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