Methyl-1-testosterone

C₂₀H₃₀O₂CAS 65-04-3302.46 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₂₀H₃₀O₂
Molar mass: 302.46 g/mol
Exact mass: 302.2246 Da
Melting point: 147–149 °C
logP: 4.13Crippen 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

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H360 May damage fertility or the unborn child50% of notifiers
H361fd Suspected of damaging fertility; Suspected of damaging the unborn child50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

65-04-3

SMILES

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

InChIKey

JRNSSSJKIGAFCT-YDSAWKJFSA-N

InChI

InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13,15-17,22H,4-5,7-8,10-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1

Weigh it out

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

Names and synonyms

11 names

Androst-1-en-3-one, 17-hydroxy-17-methyl-, (5α,17β)-
5α-Androst-1-en-3-one, 17β-hydroxy-17-methyl-
(5α,17β)-17-Hydroxy-17-methylandrost-1-en-3-one
SC 11195
17α-Methyl-17β-hydroxy-5α-androst-1-en-3-one
17β-Hydroxy-17α-methyl-5α-androst-1-en-3-one
17α-Methyl-17β-hydroxy-δ1-5α-androsten-3-one
17β-Hydroxy-17-methyl-5α-androst-1-en-3-one
17-Methyl-1-testosterone
17β-Hydroxy-17α-methyl-5α-androstan-1-en-3-one
17α-Methyl-1-testosterone

Work with Methyl-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

1-Testosterone65-06-560 % similar Mestanolone521-11-954 % similar 17β-Hydroxy-2-(hydroxymethylene)-17-methyl-5α-androstan-3-one434-07-153 % similar 17β-Hydroxy-17-methyl-2-oxa-5α-androstan-3-one53-39-452 % similar Methasterone3381-88-251 % similar Methandrostenolone72-63-948 % similar Methylnortestosterone514-61-448 % similar Oral-turinabol2446-23-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Eicosapentaenoic acid10417-94-4 Methenolone153-00-4 Mibolerone3704-09-4 Abietic acid514-10-3 Norethandrolone52-78-8 Methyltestosterone58-18-4 Kaurenoic acid6730-83-2 Levopimaric acid79-54-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook