Buprenorphine hemiadipate
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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
- Buprenorphine hemiadipate
- DrugBank Accession Number
- DB16117
- Background
Buprenorphine hemiadipate is under investigation in clinical trial NCT01582347 (Transfer of Subjects From Subutex/suboxone to RBP-6300).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 595.777
Monoisotopic: 595.350902922 - Chemical Formula
- C35H49NO7
- Synonyms
- Buprenorphine adipate ester
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. 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
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 968KUA5J54
- CAS number
- 951123-45-8
- InChI Key
- CVIJJOARNCQGON-XYQNZYJMSA-N
- InChI
- InChI=1S/C35H49NO7/c1-31(2,3)32(4,40)24-19-33-14-15-35(24,41-5)30-34(33)16-17-36(20-21-10-11-21)25(33)18-22-12-13-23(29(43-30)28(22)34)42-27(39)9-7-6-8-26(37)38/h12-13,21,24-25,30,40H,6-11,14-20H2,1-5H3,(H,37,38)/t24-,25-,30-,32+,33-,34+,35-/m1/s1
- IUPAC Name
- 6-{[(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1^{2,8}.0^{1,6}.0^{6,14}.0^{7,12}]icosa-7(12),8,10-trien-11-yl]oxy}-6-oxohexanoic acid
- SMILES
- [H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)=CC=C3OC(=O)CCCCC(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 32698730
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Opioid Related Disorders 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00288 mg/mL ALOGPS logP 4.88 ALOGPS logP 1.93 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 3.3 Chemaxon pKa (Strongest Basic) 9.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 105.53 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 161.01 m3·mol-1 Chemaxon Polarizability 66.1 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 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)
Not Available
Drug created at December 15, 2020 18:12 / Updated at December 20, 2020 03:37