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Toremifene citrate structure, CAS 89778-27-8

Toremifene citrate

CAS Number89778-27-8

SynonymsToremifene Citrate; Toremifene (Citrate)

Molecular FormulaC32H36ClNO8

Molecular Weight598.083

Purity98%

Density1.045g/cm3

Boiling Point535.1ºC at 760 mmHg

Melting Point158-164ºC

Flash Point

AppearanceWhite or almost white powder

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Cat. No.: 2A-9012785 Purity: 98%
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Quality Control of [ 89778-27-8 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number89778-27-8
Catalog No.2A-9012785
Chinese Name枸橼酸托瑞米芬
SynonymsToremifene Citrate; Toremifene (Citrate)
Molecular FormulaC32H36ClNO8
Molecular Weight598.083
Purity98
Density1.045g/cm3
Boiling Point535.1ºC at 760 mmHg
Melting Point158-164ºC
AppearanceWhite or almost white powder
Water SolubilityDMSO: >10mg/mL
Storage Condition-20°C Freezer
ApplicationToremifene (NK 622; FC 1157a) citrate is a second-generation selective estrogen receptor modulator with an IC50 of 1 μM for the estrogen receptor.
HTC2942000000
SMILESCN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C26H28ClNO.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16H,17-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-;
InChI KeyIWEQQRMGNVVKQW-OQKDUQJOSA-N
Use ofProperties Articles33 Name Toremifene Citrate Synonym More Synonyms Toremifene Citrate Biological Activity Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer References [1]. Matthew R Smith, Selective Estrogen Receptor Modulators to Prevent Treatment-Related Osteoporosis.Rev Urol. 2005; 7(Suppl 3): S30-S35. [2]. Gauri J Sabnis, Luciana Macedo, Olga Goloubeva, Toremifene - Atamestane; Alone or In Combination: Predictions from the Preclinical Intratumoral Aromatase Model. J Steroid Biochem Mol Biol. 2008 January; 108(1-2): 1-7. [3]. Taneja SS, Morton R, Barnette G, Prostate cancer diagnosis among men with isolated high-grade intraepithelial neoplasia enrolled onto a 3-year prospective phase III clinical trial of oral toremifene. J Clin Oncol. 2013 Feb 10;31(5):523-9. Chemical & Physical Properties Exact Mass 597.212952 PSA 144.60000 LogP 4.96650 Index of Refraction 1.416-1.418 InChIKey IWEQQRMGNVVKQW-OQKDUQJOSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CAS REGISTRY NUMBER : 89778-27-8 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C26-H28-Cl-N-O.C6-H8-O7 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - effect, not otherwise specified Kidney, Ureter, Bladder - incontinence Skin and Appendages - hair TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Kidney, Ureter, Bladder - incontinence Skin and Appendages - hair TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Primate - monkey DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Brain and Coverings - changes in brain weight Blood - changes in erythrocyte (RBC) count Related to Chronic Data - changes in uterine weight TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 87360 ug/kg/2Y-C TOXIC EFFECTS : Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Primate - monkey DOSE/DURATION : TOXIC EFFECTS : Liver - changes in liver weight Blood - pigmented or nucleated red blood cells Related to Chronic Data - changes in ovarian weight MUTATION DATA TEST SYSTEM : Rodent - rat DOSE/DURATION : REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 17,1051,1996 *** REVIEWS *** IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,367,1996 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,367,1996 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,367,1996 Safety Information GHS05, GHS07, GHS09 Signal Word Danger Hazard Statements H302-H318-H410 Precautionary Statements P280-P301 + P312 + P330-P305 + P351 + P338 + P310 Hazard Codes Xi: Irritant; RTECS KH2156700 HS Code 2942000000
Transport InfoProduct Name: Toremifene Citrate
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