Altrenogest

C₂₁H₂₆O₂CAS 850-52-2310.44 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₂₁H₂₆O₂
Molar mass: 310.44 g/mol
Exact mass: 310.1933 Da
Melting point: 120 °C
logP: 4.28Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2
Stereocentres: R, S, S, Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed95% of notifiers
H360 May damage fertility or the unborn child93.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure91.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects91.7% of notifiers

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P273, P280, P301+P316, P318, P319, P321, P330, P391, P405, P501

Identifiers

CAS number

850-52-2

SMILES

C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C

InChIKey

VWAUPFMBXBWEQY-ANULTFPQSA-N

InChI

InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1

Weigh it out

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

Names and synonyms

12 names

Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propen-1-yl)-, (17β)-
Estra-4,9,11-trien-3-one, 17α-allyl-17-hydroxy-
Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propenyl)-, (17β)-
(17β)-17-Hydroxy-17-(2-propen-1-yl)estra-4,9,11-trien-3-one
DRC 6246
Allyltrenbolone
R 2267
RU 2267
Regumate
A 35957
Matrix
Matrix (progestogen)

Work with Altrenogest

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

Methyltrienolone965-93-569 % similar Trenbolone10161-33-852 % similar Trendione4642-95-952 % similar Gestrinone16320-04-050 % similar Trenbolone acetate10161-34-946 % similar Dienogest65928-58-745 % similar (17β)-17-[(1-Oxoheptyl)oxy]estra-4,9,11-trien-3-one1629618-98-944 % similar (17β)-17-[[(Cyclohexylmethoxy)carbonyl]oxy]estra-4,9,11-trien-3-one23454-33-342 % similar

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

Same formula

p-Pentylphenyl p-propylbenzoate50649-60-0 Gestodene60282-87-3 Mestranol72-33-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook