Benzotest
PubChem CID
21116124
Structure
Molecular Formula
Synonyms
- Benzotest
- Testodur
- Virex-retard
- Sterandryl-A
- Sterandryl retard
Molecular Weight
398.6 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2007-12-05
- Modify:2025-01-11
Chemical Structure Depiction
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] cyclohexanecarboxylate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C26H38O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h16-17,20-23H,3-15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
YKNXICSCSYLTHK-IXKNJLPQSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4CCCCC4)CCC5=CC(=O)CC[C@]35C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C26H38O3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
14191-92-5
- Benzotest
- testosterone 17-cyclohexanecarboxylate
- Benzotest
- Testodur
- Virex-retard
- Sterandryl-A
- Sterandryl retard
- Tardosterandryl-depot
- 14191-92-5
- Testosterone hexahydrobenzoate
- Testosterone 17-hexahydrobenzoate
- Testosterone, cyclohexanecarboxylate
- testosterone cyclohexanoate
- T4QOX8847Z
- Androst-4-en-3-one, 17-[(cyclohexylcarbonyl)oxy]-, (17.beta.)-
- [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] cyclohexanecarboxylate
- UNII-T4QOX8847Z
- ANDROST-4-EN-3-ONE, 17-((CYCLOHEXYLCARBONYL)OXY)-, (17.BETA.)-
- EINECS 238-045-5
- DURANDRON
- BRN 3224322
- 4-09-00-00024 (Beilstein Handbook Reference)
- SCHEMBL3363197
- YKNXICSCSYLTHK-IXKNJLPQSA-N
- Androst-4-en-3-one, 17-((cyclohexylcarbonyl)oxy)-, (17-beta)-
- TESTOSTERONE HEXAHYDROBENZOATE [WHO-DD]
- 17-beta-Hydroxyandrost-4-en-3-one hexahydrobenzoate
- 17-.beta.hydroxyandrost-4-en-3-one hexahydrobenzoate
- Q27289666
- CYCLOHEXANECARBOXYLIC ACID, ESTER WITH TESTOSTERONE
- 3-Oxoandrost-4-en-17-yl cyclohexanecarboxylate-, (17.beta.)-
- (10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)cyclohexanecarboxylate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
398.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
6
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
398.28209507 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
398.28209507 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
43.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
29
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
717
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
6
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
255431
Library
Main library
Total Peaks
133
m/z Top Peak
83
m/z 2nd Highest
55
m/z 3rd Highest
111
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Chemical Assessment
IMAP assessments - Androst-4-en-3-one, 17-[(cyclohexylcarbonyl)oxy]-, (17.beta.)-: Environment tier I assessment
IMAP assessments - Androst-4-en-3-one, 17-[(cyclohexylcarbonyl)oxy]-, (17.beta.)-: Human health tier I assessment
- Australian Industrial Chemicals Introduction Scheme (AICIS)Androst-4-en-3-one, 17-[(cyclohexylcarbonyl)oxy]-, (17.beta.)-https://services.industrialchemicals.gov.au/search-assessments/
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Testosterone, cyclohexanecarboxylatehttps://commonchemistry.cas.org/detail?cas_rn=14191-92-5
- ChemIDplusTestosterone 17-cyclohexanecarboxylatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0014191925ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice17-βhydroxyandrost-4-en-3-one hexahydrobenzoatehttps://echa.europa.eu/substance-information/-/substanceinfo/100.034.571
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingTESTOSTERONE CYCLOHEXANOATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/T4QOX8847Z
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawAndrost-4-en-3-one, 17-[(cyclohexylcarbonyl)oxy]-, (17.beta.)-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseTestosterone hexahydrobenzoatehttps://spectrabase.com/spectrum/KKvgM1xV4WTestosterone hexahydrobenzoatehttps://spectrabase.com/spectrum/HLFJMT7FLLlTestosterone hexahydrobenzoatehttps://spectrabase.com/spectrum/FKtTJzCnmx3
- Wikidatatestosterone cyclohexanoatehttps://www.wikidata.org/wiki/Q27289666
- WikipediaTestosterone hexahydrobenzoatehttps://en.wikipedia.org/wiki/Testosterone_hexahydrobenzoate
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmltestosterone 17-cyclohexanecarboxylatehttps://www.ncbi.nlm.nih.gov/mesh/67042770
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- NCBI
CONTENTS