NAV

25-desacetylrifapentine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
25-desacetylrifapentine
DrugBank Accession Number
DB15213
Background

25-desacetylrifapentine is under investigation in clinical trial NCT00023387 (TBTC Study 25PK: Intensive Pharmacokinetic Study of Three Doses of Rifapentine and 25-Desacetyl Rifapentine).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 835.008
Monoisotopic: 834.441508832
Chemical Formula
C45H62N4O11
Synonyms
  • 25-DESACETYL RIFAPENTINE
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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.
DrugInteraction
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interactions in your software
AcebutololThe metabolism of Acebutolol can be increased when combined with 25-desacetylrifapentine.
AcenocoumarolThe risk or severity of bleeding can be increased when 25-desacetylrifapentine is combined with Acenocoumarol.
AmbroxolThe risk or severity of methemoglobinemia can be increased when 25-desacetylrifapentine is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when 25-desacetylrifapentine is combined with Articaine.
AtenololThe metabolism of Atenolol can be increased when combined with 25-desacetylrifapentine.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
29A0K44SJO
CAS number
79039-56-8
InChI Key
LPUNEQQTZOWCNO-WEOUFWGLSA-N
InChI
InChI=1S/C45H62N4O11/c1-23-12-11-13-24(2)44(57)47-35-30(22-46-49-19-17-48(18-20-49)29-14-9-10-15-29)40(54)32-33(41(35)55)39(53)28(6)42-34(32)43(56)45(7,60-42)59-21-16-31(58-8)25(3)37(51)27(5)38(52)26(4)36(23)50/h11-13,16,21-23,25-27,29,31,36-38,50-55H,9-10,14-15,17-20H2,1-8H3,(H,47,57)/b12-11-,21-16-,24-13-,46-22+/t23-,25+,26+,27-,31-,36-,37+,38+,45-/m0/s1
IUPAC Name
(7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E,21E)-26-[(E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl]-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione
SMILES
CO[C@H]1C=CO[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(CC4)C4CCCC4)=C(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C)C(O)=C2C(O)=C3C

References

General References
Not Available
ChemSpider
23976039

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableCompletedTreatmentTuberculosis (TB)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
PropertyValueSource
Water Solubility0.0377 mg/mLALOGPS
logP4.38ALOGPS
logP3.26Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)6.99Chemaxon
pKa (Strongest Basic)7.88Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count14Chemaxon
Hydrogen Donor Count7Chemaxon
Polar Surface Area214.08 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity232.84 m3·mol-1Chemaxon
Polarizability90.36 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f89-0000000090-1b6dae431b35f8e2baa7
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kb-0000000940-a4a3ab88c14f703a55ad
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0000000090-b6497adca9450396315a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000j-0000000950-994ab4fa308bf214444b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014r-4400000970-f0ecd82a02ced3420a53
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001j-1900001530-40f8cfdbcca54781bef2
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:00 / Updated at June 12, 2020 16:53