1-Testosterone

C₁₉H₂₈O₂CAS 65-06-5288.43 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₁₉H₂₈O₂
Molar mass: 288.43 g/mol
Exact mass: 288.2089 Da
Melting point: 220 °C
logP: 3.74Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: R, S, R, S, S, S, Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed97.4% of notifiers
H311 Toxic in contact with skin97.4% of notifiers
H315 Causes skin irritation97.4% of notifiers
H319 Causes serious eye irritation97.4% of notifiers
H331 Toxic if inhaled97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers
H350 May cause cancer97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

65-06-5

SMILES

C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

InChIKey

OKJCFMUGMSVJBG-ABEVXSGRSA-N

InChI

InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1

Weigh it out

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

Names and synonyms

7 names

Androst-1-en-3-one, 17-hydroxy-, (5α,17β)-
5α-Androst-1-en-3-one, 17β-hydroxy-
(5α,17β)-17-Hydroxyandrost-1-en-3-one
17β-Hydroxy-5α-androst-1-en-3-one
5α-Androst-1-en-17β-ol-3-one
NSC 121140
NSC 39366

Work with 1-Testosterone

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

Methenolone153-00-461 % similar 5α-Androst-1-ene-3β,17β-diol5323-27-360 % similar Methyl-1-testosterone65-04-360 % similar Dihydrotestosterone521-18-657 % similar 1α-Methyl-5α-androstan-17β-ol-3-one1424-00-653 % similar 3α-Androstanediol1852-53-550 % similar 5Alpha-Androstane-3beta,17beta-diol571-20-050 % similar Boldenone846-48-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

MENT3764-87-2 Epitestosterone481-30-1 Methylnortestosterone514-61-4 Dehydroepiandrosterone53-43-0 4-Dehydroepiandrosterone571-44-8 Testosterone58-22-0 1-Androstene-3B-ol,17-one76822-24-7 Androstanedione846-46-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook