Estramustine phosphate
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Estramustine phosphate
- DrugBank Accession Number
- DB14674
- Background
A nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties.
- Type
- Small Molecule
- Groups
- Approved, Investigational
- Structure
- Weight
- Average: 520.38
Monoisotopic: 519.1344302 - Chemical Formula
- C23H32Cl2NO6P
- Synonyms
- Estramustine 17-(dihydrogen phosphate)
- External IDs
- BRN 1898199
- Leo 299
- LS 299
- LS-299
- NSC-89199
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Estramustine phosphate is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Estramustine phosphate is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Estramustine phosphate is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Estramustine phosphate is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Estramustine phosphate is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Estramustine phosphate is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Estramustine phosphate is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Estramustine phosphate is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Estramustine phosphate is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Estramustine phosphate is combined with Cinchocaine. Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- International/Other Brands
- Estracyt
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- MUZ9585Y7B
- CAS number
- 4891-15-0
- InChI Key
- ADFOJJHRTBFFOF-RBRWEJTLSA-N
- InChI
- InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1
- IUPAC Name
- {[(1S,3aS,3bR,9bS,11aS)-7-{[bis(2-chloroethyl)carbamoyl]oxy}-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}phosphonic acid
- SMILES
- [H][C@@]12CC[C@H](OP(O)(O)=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC(=O)N(CCCl)CCCl)C=C3
References
- General References
- Not Available
- External Links
- ChemSpider
- 227633
- BindingDB
- 50333645
- ChEBI
- 68643
- ChEMBL
- CHEMBL1756
- ZINC
- ZINC000003938713
- Wikipedia
- Estramustine_phosphate
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Breast Cancer 1 2 Completed Treatment Hormone Resistant Prostate Cancer / Metastatic Prostate Cancer 1 2 Unknown Status Treatment Prostate Cancer 1 2 Withdrawn Treatment Breast Cancer 1 1, 2 Completed Treatment Prostate Cancer 2
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule Oral 140.000 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000468 mg/mL ALOGPS logP 4.23 ALOGPS logP 4.98 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 1.86 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 96.3 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 127.09 m3·mol-1 Chemaxon Polarizability 53.82 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at September 03, 2018 17:28 / Updated at June 12, 2020 16:53