Testosterone benzoate

HCID 101474

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Basic information

CAS: 2088-71-3
Standard SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1
InChIKey: RZJSCADWIWNGKI-IXKNJLPQSA-N
Molecular formula: C26H32O3
Average molar mass: 392.5 g/mol
Monoisotopic mass: 392.23514488

Names & identifiers

Preferred name: Testosterone benzoate
IUPAC: [(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] benzoate
English name: Testosterone benzoate
Molecular formula: C26H32O3
Molecular weight: 392.53

Names & synonyms

Testosterone benzoate2088-71-3Testosterone 17-benzoateTestosterone, benzoate387187KT3ENSC 524278UNII-387187KT3EEINECS 218-232-8NSC-524278Androst-4-en-3-one, 17-(benzoyloxy)-, (17.beta.)-17.BETA.-BENZOYLOXYANDROST-4-EN-3-ONEANDROST-4-EN-17.BETA.-OL-3-ONE BENZOATE

Show more names

Stanolone-17-bebzoateTamsulosin Impurity 38Testosterone-d3 BenzoateTestosterone Benzoate (CIII)TESTOSTERONE BENZOATE(RG)(CALL)TESTOSTERONE 17-BENZOATE VETRANAL3-Oxoandrosta-4-ene-17β-ol benzoateDELTA-ANDROSTENE-17B-BENZOATE-3-ONE

RefChem:18832517BETA-BENZOYLOXYANDROST-4-EN-3-ONEANDROST-4-EN-17BETA-OL-3-ONE BENZOATEAndrost-4-en-3-one, 17-(benzoyloxy)-, (17beta)-218-232-8RZJSCADWIWNGKI-IXKNJLPQSA-N[(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] benzoate3-Oxoandrost-4-en-17-yl benzoate

Database identifiers

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 29
Formal charge: 0
Complexity: 717

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 200 °C · 200 °C
Boiling point: 477.23 °C · 477.23°C (rough estimate)
Density: 1.0244 · 1.0244 (rough estimate)
refractive index: 1.546 · 1.5460 (estimate)
form: Solid
Water Solubility: 13 mg/L · 13mg/L(25 ºC)
Major Application: clinical testing
InChIKey: RZJSCADWIWNGKI-IXKNJLPQSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c5ccccc5
CAS DataBase Reference: 2088 · 2088-71-3(CAS DataBase Reference)
FDA UNII: 387187 KT3E · 387187KT3E
UNSPSC Code: 41116107 · 41116107

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H351 (97.5%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesCarc. 2 (97.5%)

Safety data

PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: WGK 3
risk_code: 40-48
Signal word: Warning
Symbol(GHS): GHS08
hazard_code: Xn
safety_code: 36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H351
Hazard Classifications: Carc. 2
Precautionary statements: P201-P202-P281-P308+P313-P405-P501

Chemistry & industry

Applications

UsesA metabolite of Testosterone (T155000).

Suppliers27 total

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]

上海维亦特生物科技有限公司15317051735 · [email protected]

廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]

Related reactions

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Compound notes

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