NAV

Testosterone succinate

Identification

Generic Name
Testosterone succinate
DrugBank Accession Number
DB08619
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 388.4972
Monoisotopic: 388.224974134
Chemical Formula
C23H32O5
Synonyms
  • Testosterone 17-hemisuccinate
  • Testosterone hemisuccinate
  • Testosterone-17-succinate
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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
TargetActionsOrganism
UNeocarzinostatinNot AvailableStreptomyces carzinostaticus
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
AbciximabTestosterone succinate may increase the anticoagulant activities of Abciximab.
AcenocoumarolTestosterone succinate may increase the anticoagulant activities of Acenocoumarol.
AllantoinThe therapeutic efficacy of Allantoin can be increased when used in combination with Testosterone succinate.
AlteplaseTestosterone succinate may increase the anticoagulant activities of Alteplase.
AncrodTestosterone succinate may increase the anticoagulant activities of Ancrod.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Steroid esters
Direct Parent
Steroid esters
Alternative Parents
Androgens and derivatives / 3-oxo delta-4-steroids / Delta-4-steroids / Cyclohexenones / Dicarboxylic acids and derivatives / Carboxylic acid esters / Carboxylic acids / Organic oxides / Hydrocarbon derivatives
Substituents
3-oxo-delta-4-steroid / 3-oxosteroid / Aliphatic homopolycyclic compound / Androgen-skeleton / Androstane-skeleton / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Carboxylic acid ester / Cyclic ketone
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4114I54YIH
CAS number
521-15-3
InChI Key
CJQNBXFUHQZFOE-VYAQIDIUSA-N
InChI
InChI=1S/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)/t16-,17-,18-,19-,22-,23-/m0/s1
IUPAC Name
4-{[(1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}-4-oxobutanoic acid
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O

References

General References
Not Available
PubChem Compound
119202
PubChem Substance
99445090
ChemSpider
106489
ZINC
ZINC000004025723
PDBe Ligand
TH2
PDB Entries
2cbo / 2cbq / 2cbt

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00844 mg/mLALOGPS
logP3.41ALOGPS
logP3.63Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)4.31Chemaxon
pKa (Strongest Basic)-4.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area80.67 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity104.47 m3·mol-1Chemaxon
Polarizability43.74 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9902
Blood Brain Barrier+0.9464
Caco-2 permeable+0.5081
P-glycoprotein substrateSubstrate0.698
P-glycoprotein inhibitor IInhibitor0.6216
P-glycoprotein inhibitor IINon-inhibitor0.5698
Renal organic cation transporterNon-inhibitor0.8028
CYP450 2C9 substrateNon-substrate0.8516
CYP450 2D6 substrateNon-substrate0.9404
CYP450 3A4 substrateSubstrate0.7287
CYP450 1A2 substrateNon-inhibitor0.9581
CYP450 2C9 inhibitorNon-inhibitor0.9404
CYP450 2D6 inhibitorNon-inhibitor0.9507
CYP450 2C19 inhibitorNon-inhibitor0.9579
CYP450 3A4 inhibitorNon-inhibitor0.8479
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9157
Ames testNon AMES toxic0.9189
CarcinogenicityNon-carcinogens0.9626
BiodegradationNot ready biodegradable0.9244
Rat acute toxicity2.1662 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.901
hERG inhibition (predictor II)Non-inhibitor0.7867
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0093000000-0dce4a00e1cf45db6f00
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ku-1009000000-5444f375f32791f13b92
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-059l-9066000000-5022b1279b132fa7ba4c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-1495000000-934b48741d252712113e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9002000000-93d2c68d5644a9db8b16
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0abi-0951000000-348ecab2bb7edaa95c72
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-192.88205
predicted
DeepCCS 1.0 (2019)
[M+H]+194.77747
predicted
DeepCCS 1.0 (2019)
[M+Na]+201.06563
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Neocarzinostatin
Kind
Protein
Organism
Streptomyces carzinostaticus
Pharmacological action
Unknown
General Function
NCS has antibiotic activity (for Gram-positive bacteria) and antitumor activity (for certain mouse tumors). NCS binds non-covalently to a chromophore which is the cytotoxic and mutagenic component of the antibiotic. The chromophore binds to DNA as a weak intercalator and causes single- and double-strand breaks.
Specific Function
Dna binding
Gene Name
ncsA
Uniprot ID
P0A3R9
Uniprot Name
Neocarzinostatin
Molecular Weight
14455.08 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Drug created at September 15, 2010 21:33 / Updated at June 12, 2020 16:52