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
Structure for Estramustine phosphate (DB14674)
- 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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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. - 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 Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 204.26122 predictedDeepCCS 1.0 (2019) [M+H]+ 206.58813 predictedDeepCCS 1.0 (2019) [M+Na]+ 212.50099 predictedDeepCCS 1.0 (2019)
Drug created at September 03, 2018 17:28 / Updated at June 12, 2020 16:53