Testosterone phenylpropionate

C₂₈H₃₆O₃CAS 1255-49-8420.59 g/mol

Open in Covalent MOL file

Alkene Ester Ketone

Properties

Molecular formula: C₂₈H₃₆O₃
Molar mass: 420.59 g/mol
Exact mass: 420.2664 Da
Melting point: 116.5 °C
logP: 6.06Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4
Stereocentres: S, S, R, R, S, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed96.6% of notifiers
H312 Harmful in contact with skin65.5% of notifiers
H332 Harmful if inhaled67.2% of notifiers
H351 Suspected of causing cancer100% of notifiers
H360 May damage fertility or the unborn child31% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure29.3% of notifiers
H412 Harmful to aquatic life with long lasting effects29.3% of notifiers

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

1255-49-8

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1

InChIKey

HHSXYDOROIURIP-FEZCWRLCSA-N

InChI

InChI=1S/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Androst-4-en-3-one, 17-(1-oxo-3-phenylpropoxy)-, (17β)-
Testosterone, hydrocinnamate
Hydrocinnamic acid, ester with testosterone
(17β)-17-(1-Oxo-3-phenylpropoxy)androst-4-en-3-one
Hydrocinnamic acid, testosterone ester
3-Oxoandrost-4-en-17β-yl β-phenylpropionate
Testosterone 17-phenylpropionate
Retandrol
Testosterone phenpropionate
Androject
NSC 26643
Testosterone phenylpropanoate

Work with Testosterone phenylpropionate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Testosterone benzoate2088-71-375 % similar Testosterone isocaproate15262-86-974 % similar 17β-Hydroxyandrost-4-en-3-one propionate57-85-273 % similar Testosterone cypionate58-20-872 % similar Testosterone enanthate315-37-770 % similar Testosterone decanoate5721-91-570 % similar Testosterone undecylate5949-44-070 % similar Nandrolone phenylpropionate62-90-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook