Testosterone enantate benzilic acid hydrazone
PubChem CID
76971566
Structure
Molecular Formula
Synonyms
- 18625-33-7
- testosterone enantate benzilic acid hydrazone
- UNII-X8Z8A2G2Y4
- X8Z8A2G2Y4
- EINECS 242-458-6
Molecular Weight
624.9 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2014-08-25
- Modify:2025-01-25
Chemical Structure Depiction
[(8R,9S,10R,13S,14S,17S)-3-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C40H52N2O4/c1-4-5-6-13-18-36(43)46-35-22-21-33-32-20-19-30-27-31(23-25-38(30,2)34(32)24-26-39(33,35)3)41-42-37(44)40(45,28-14-9-7-10-15-28)29-16-11-8-12-17-29/h7-12,14-17,27,32-35,45H,4-6,13,18-26H2,1-3H3,(H,42,44)/t32-,33-,34-,35-,38-,39-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PTVXYACXDYZNID-JKXGKYMWSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=NNC(=O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)CC[C@]34C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C40H52N2O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
testosterone 17-enanthate 3-benzilic acid hydrazone
- 18625-33-7
- testosterone enantate benzilic acid hydrazone
- UNII-X8Z8A2G2Y4
- X8Z8A2G2Y4
- EINECS 242-458-6
- Testosterone 17-enanthate 3-benzilic acid hydrazone
- Testosterone enanthate benzilic acid hydrazone
- TESTOSTERONE ENANTATE BENZILIC ACID HYDRAZONE [WHO-DD]
- alpha-Hydroxy-alpha-phenylbenzeneacetic acid,(17-((1-oxoheptyl)oxy)androst-4-en-3-ylidene)hy drazide
- BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, (17-((1-OXOHEPTYL)OXY)ANDROST-4-EN-3-YLIDENE)HYDRAZIDE
- 3-?([Hydroxy(diphenyl)?acetyl]?hydrazono)?androst-?4-?en-?17-?ylheptanoate
- (1S,3aS,3bR,9aR,9bS,11aS)-7-((2-hydroxy-2,2-diphenylacetamido)imino)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl heptanoate
- (1S,3aS,3bR,9aR,9bS,11aS)-7-[(2-hydroxy-2,2-diphenylacetamido)imino]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl heptanoate
- BENZENEACETIC ACID, ALPHA-HYDROXY-ALPHA-PHENYL-, (17-((1-OXOHEPTYL)OXY)ANDROST-4-EN-3-YLIDENE)HYDRAZIDE
- Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, [17-[(1-oxoheptyl)oxy]androst-4-en-3-ylidene]hydrazide
- PTVXYACXDYZNID-JKXGKYMWSA-N
- DTXSID001117610
- DB13947
- PD077464
- NS00073752
- Q27293700
- 3-([Hydroxy(diphenyl)acetyl]hydrazono)androst-4-en-17-ylheptanoate
- 2'-(17-((1-Oxoheptyl)oxy)androst-4-en-3-ylidene)-2-phenylglycolohydrazide
- [(8R,9S,10R,13S,14S,17S)-3-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
- alpha-Hydroxy-alpha-phenylbenzeneacetic acid [17-[(1-oxoheptyl)oxy]androst-4-en-3-ylidene]hydrazide
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
624.9 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3
Property Value
8.7
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
11
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
624.39270814 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
624.39270814 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
88 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
46
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1130
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
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
1
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)
Pharmaceuticals -> Listed in ZINC15
S55 | ZINC15PHARMA | Pharmaceuticals from ZINC15 | DOI:10.5281/zenodo.3247749
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 Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- 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/Benzeneacetic acid, α-hydroxy-α-phenyl-, [17-[(1-oxoheptyl)oxy]androst-4-en-3-ylidene]hydrazidehttps://commonchemistry.cas.org/detail?cas_rn=18625-33-7
- ChemIDplusTestosterone 17-enanthate 3-benzilic acid hydrazonehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0018625337ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DrugBankLICENSECreative Common's Attribution-NonCommercial 4.0 International License (http://creativecommons.org/licenses/by-nc/4.0/legalcode)https://www.drugbank.ca/legal/terms_of_useTestosterone enantate benzilic acid hydrazonehttps://www.drugbank.ca/drugs/DB13947
- EPA DSSToxalpha-Hydroxy-alpha-phenylbenzeneacetic acid [17-[(1-oxoheptyl)oxy]androst-4-en-3-ylidene]hydrazidehttps://comptox.epa.gov/dashboard/DTXSID001117610CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- 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-notice2'-[17-[(1-oxoheptyl)oxy]androst-4-en-3-ylidene]-2-phenylglycolohydrazidehttps://echa.europa.eu/substance-information/-/substanceinfo/100.038.583
- 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 ENANTATE BENZILIC ACID HYDRAZONEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/X8Z8A2G2Y4
- Metabolomics WorkbenchTestosterone enantate benzilic acid hydrazonehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=154685
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/5-(2-hydroxy-2,2-diphenylacetohydrazido)-2,15-dimethyltetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadec-6-en-14-yl heptanoateNORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- Wikidatatestosterone enantate benzilic acid hydrazonehttps://www.wikidata.org/wiki/Q27293700
- WikipediaTestosterone enantate benzilic acid hydrazonehttps://en.wikipedia.org/wiki/Testosterone_enantate_benzilic_acid_hydrazone
- 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-enanthate 3-benzilic acid hydrazonehttps://www.ncbi.nlm.nih.gov/mesh/67020510
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS