17α-Hydroxyprogesterone

C₂₁H₃₀O₃CAS 68-96-2330.47 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₂₁H₃₀O₃
Molar mass: 330.47 g/mol
Exact mass: 330.2195 Da
Melting point: 222–223 °C
logP: 3.84Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: R, S, R, R, S, Sin SMILES atom order

Hazards

Danger

H360 May damage fertility or the unborn child95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

68-96-2

SMILES

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

InChIKey

DBPWSSGDRRHUNT-CEGNMAFCSA-N

InChI

InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all

Pregn-4-ene-3,20-dione, 17-hydroxy-
17-Hydroxypregn-4-ene-3,20-dione
17-Hydroxyprogesterone
Prodox
17α-Hydroxypregn-4-ene-3,20-dione
Hydroxyprogesterone
δ4-Pregnen-17α-ol-3,20-dione
Gestageno gador
Prodix
Pregn-4-en-17α-ol-3,20-dione
U 3096
Gestageno
NSC 15468
17α-Hydroxylutin
17α-Hydroxy-P4
4-Pregnene-17α-ol-3,20-dione

Work with 17α-Hydroxyprogesterone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

17β-Hydroxyprogesterone604-09-1Diastereomer

Similar compounds

21-Deoxycortisone1882-82-275 % similar 11-Deoxycortisol152-58-975 % similar 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-970 % similar Methyltestosterone58-18-470 % similar 17-Acetoxyisopregn-4-ene-3,20-dione17308-02-069 % similar Progesterone acetate302-23-869 % similar Medroxyprogesterone520-85-469 % similar Algestone595-77-768 % similar

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

Same formula

Testosterone 17-acetate1045-69-8 Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate2681-55-2 Trestolone acetate6157-87-5 11-Deoxycorticosterone64-85-7 Nandrolone propionate7207-92-3 11α-Hydroxyprogesterone80-75-1 (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one82543-16-6

Elsewhere

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