Testosterone Enanthate

Details

• Internal ID: d1636651-ca90-40f9-8ea8-3e4306f619d3
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters
• IUPAC Name: [(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] heptanoate
• SMILES (Canonical): CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
• SMILES (Isomeric): CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• InChI: InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1
• InChI Key: VOCBWIIFXDYGNZ-IXKNJLPQSA-N
• Popularity: 1,701 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₄₀O₃
• Molecular Weight: 400.60 g/mol
• Exact Mass: 400.29774513 g/mol
• Topological Polar Surface Area (TPSA): 43.40 Ų
• XlogP: 6.30
• Atomic LogP (AlogP): 6.40
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Rotatable Bonds: 6

Synonyms

• 315-37-7
• Delatestryl
• Testosterone heptanoate
• Androtardyl
• Testosterone enantate
• Testosterone heptylate
• Atlatest
• Testanthate
• Testinon
• Testoenant
• Testostroval
• Everone
• Orquisteron-E
• Exten test
• Depo-Testro Med
• Testosterone oenanthate
• Andropository
• Durathate
• Testenate
• Testosterone heptoate
• Reposo-TMD
• Primotestone
• Malogen L.A.
• DePatestrye
• Testosterone 17-enanthate
• NSC-17591
• Malogen L.A.200
• Reposo TMD
• Testonenant
• Ditate
• Andro L.A. 200
• 17-Hydroxyandrost-4-en-3-one, 17-heptanoate
• Delatest
• Testate
• Xyosted
• Testosterone, heptanoate
• Heptanoic acid, ester with testosterone
• 17-((1-Oxoheptyl)oxy)androst-4-en-3-one
• 17beta-Enanthoxyandrost-4-en-3-one
• 4-Androsten-3-one 17beta-enanthate
• Androgyn L.A.
• Androst-4-en-3-one, 17-[(1-oxoheptyl)oxy]-, (17b)-
• Testosterone ethanate
• CCRIS 7082
• DEA No. 4000
• 17beta-Hydroxyandrost-4-en-3-one enanthate
• EINECS 206-253-5
• Androst-4-en-3-one, 17-((1-oxoheptyl)oxy)-, (17beta)-
• Testosterone enanthate ciii
• BRN 3170544
• CHEBI:9464
• UNII-7Z6522T8N9
• Testosterone enanthate [USP:JAN]
• Testosterone enanthate [USAN:JAN]
• Androst-4-en-3-one, 17beta-hydroxy-, heptanoate
• C26H40O3
• 7Z6522T8N9
• [(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] heptanoate
• Androst-4-en-3-one, 17-(1-oxoheptyl)oxy-, (17beta)-
• 17-heptanoyl-17beta-hydroxyandrost-4-en-3-one
• 4-08-00-00979 (Beilstein Handbook Reference)
• Theramex
• Androst-4-en-3-one, 17-[(1-oxoheptyl)oxy]-, (17.beta.)-
• 17-[(1-Oxoheptyl)oxy]androst-4-en-3-one
• Androgyn L.A
• Malogen L.A
• Delatestryl (TN)
• Testosteroni enantas
• Ditate (Salt/Mix)
• Deladumone (Salt/Mix)
• Testosterone heptoic acid
• Enanthic acid testosterone
• SCHEMBL42687
• Androgyn L.A. (Salt/Mix)
• Testosterone 17beta-heptanoate
• CHEMBL1200335
• Androst-4-en-3-one, heptanoate
• DTXSID701016540
• Testosterone 17beta-heptanoic acid
• TESTOSTERONE ENANTHATE [MI]
• DRG-0260
• NSC17591
• Testosterone enanthate (JP17/USP)
• TESTOSTERONE ENANTHATE [JAN]
• LMST02020075
• s3717
• Androst-4-en-3-one,(17.beta.)-
• TESTOSTERONE ENANTATE [MART.]
• TESTOSTERONE ENANTHATE [VANDF]
• AKOS015960945
• TESTOSTERONE ENANTATE [WHO-IP]
• CCG-268655
• CS-O-05333
• DB13944
• TESTOSTERONE ENANTHATE [USP-RS]
• TESTOSTERONE ENANTHATE [WHO-DD]
• 4-Androsten-3-one 17.beta.-enanthate
• 3-oxoandrost-4-en-17beta-yl heptanoate
• (8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl heptanoate
• AC-12599
• DS-11585
• Testosterone enanthate, analytical standard
• 4-Androsten-17beta-ol-3-one 17-enanthate
• LS-148818
• TESTOSTERONE ENANTATE [EP MONOGRAPH]
• TESTOSTERONE ENANTHATE [ORANGE BOOK]
• TESTOSTERONI ENANTAS [WHO-IP LATIN]
• 17beta-hydroxyandrost-4-en-3-one heptanoate
• TESTOSTERONE ENANTHATE CIII [USP-RS]
• TESTOSTERONE ENANTHATE [USP MONOGRAPH]
• WLN: L E5 B666 OV MUTJ A E FOV6
• C08157
• D00958
• DITATE-DS COMPONENT TESTOSTERONE ENANTHATE
• 17-Hydroxyandrost-4-en-3-one, 17-heptanoic acid
• SR-01000942262
• SR-01000942262-1
• TESTOSTERONE ENANTHATE COMPONENT OF DITATE-DS
• W-106891
• Androst-4-en-3-one, 17.beta.-hydroxy-, heptanoate
• Q27108402
• 3-Oxoandrost-4-en-17-yl heptanoate, (17.beta.)- #
• 17.BETA.-(HEPTANOYLOXY)ANDROST-4-EN-3-ONE [WHO-IP]
• Androst-4-en-3-ona, 17-[(1-oxoheptil)oxi]-, (17beta )-
• ANDROST-4-EN-3-ONE, 17-(1-OXOHEPTYL)OXY-, (17.BETA.)-
• Testosterone enantate, European Pharmacopoeia (EP) Reference Standard
• Testosterone enanthate, United States Pharmacopeia (USP) Reference Standard
• Testosterone enantate for peak identification, European Pharmacopoeia (EP) Reference Standard
• Testosterone enantate for system suitability, European Pharmacopoeia (EP) Reference Standard

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	1.0000	100.00%
Caco-2	+	0.6933	69.33%
Blood Brain Barrier	+	0.7750	77.50%
Human oral bioavailability	-	0.7857	78.57%
Subcellular localzation	Mitochondria	0.7128	71.28%
OATP2B1 inhibitior	-	1.0000	100.00%
OATP1B1 inhibitior	+	0.8644	86.44%
OATP1B3 inhibitior	+	0.9766	97.66%
MATE1 inhibitior	+	0.7800	78.00%
OCT2 inhibitior	-	0.6000	60.00%
BSEP inhibitior	+	0.8981	89.81%
P-glycoprotein inhibitior	+	0.8737	87.37%
P-glycoprotein substrate	-	0.7651	76.51%
CYP3A4 substrate	+	0.7727	77.27%
CYP2C9 substrate	-	1.0000	100.00%
CYP2D6 substrate	-	0.9075	90.75%
CYP3A4 inhibition	-	0.7576	75.76%
CYP2C9 inhibition	-	0.8459	84.59%
CYP2C19 inhibition	+	0.6089	60.89%
CYP2D6 inhibition	-	0.9301	93.01%
CYP1A2 inhibition	-	0.9445	94.45%
CYP2C8 inhibition	-	0.6674	66.74%
CYP inhibitory promiscuity	-	0.5939	59.39%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.9800	98.00%
Carcinogenicity (trinary)	Non-required	0.5028	50.28%
Eye corrosion	-	0.9929	99.29%
Eye irritation	-	0.9541	95.41%
Skin irritation	+	0.5462	54.62%
Skin corrosion	-	0.9677	96.77%
Ames mutagenesis	-	0.8400	84.00%
Human Ether-a-go-go-Related Gene inhibition	+	0.7593	75.93%
Micronuclear	-	0.6300	63.00%
Hepatotoxicity	-	0.9125	91.25%
skin sensitisation	-	0.6782	67.82%
Respiratory toxicity	+	0.9889	98.89%
Reproductive toxicity	+	1.0000	100.00%
Mitochondrial toxicity	+	0.9625	96.25%
Nephrotoxicity	-	0.9160	91.60%
Acute Oral Toxicity (c)	III	0.8305	83.05%
Estrogen receptor binding	+	0.8937	89.37%
Androgen receptor binding	+	0.8856	88.56%
Thyroid receptor binding	+	0.5288	52.88%
Glucocorticoid receptor binding	+	0.9304	93.04%
Aromatase binding	+	0.8469	84.69%
PPAR gamma	+	0.6458	64.58%
Honey bee toxicity	-	0.8866	88.66%
Biodegradation	-	0.7250	72.50%
Crustacea aquatic toxicity	+	0.8218	82.18%
Fish aquatic toxicity	+	1.0000	100.00%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.31%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.22%	91.11%
CHEMBL1871	P10275	Androgen Receptor	97.21%	96.43%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.98%	97.25%
CHEMBL230	P35354	Cyclooxygenase-2	95.84%	89.63%
CHEMBL1994	P08235	Mineralocorticoid receptor	95.17%	100.00%
CHEMBL299	P17252	Protein kinase C alpha	93.21%	98.03%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.84%	99.17%
CHEMBL5255	O00206	Toll-like receptor 4	92.77%	92.50%
CHEMBL2581	P07339	Cathepsin D	92.43%	98.95%
CHEMBL221	P23219	Cyclooxygenase-1	90.50%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.45%	95.56%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	90.10%	100.00%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	88.14%	92.86%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.93%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.42%	86.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.11%	97.09%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	86.68%	92.62%
CHEMBL340	P08684	Cytochrome P450 3A4	86.50%	91.19%
CHEMBL2996	Q05655	Protein kinase C delta	84.83%	97.79%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	84.77%	82.69%
CHEMBL4227	P25090	Lipoxin A4 receptor	84.36%	100.00%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	83.26%	94.33%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.51%	95.89%
CHEMBL1940	Q13936	Voltage-gated L-type calcium channel alpha-1C subunit	82.23%	86.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.15%	99.23%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	81.34%	94.78%

Plants that contains it

• Chaenomeles sinensis

Cross-Links

• PubChem: 9416
• NPASS: NPC291149