21-Hydroxy-17-(1-oxopropoxy)pregn-4-ene-3,20-dione

C₂₄H₃₄O₅CAS 19608-29-8402.53 g/mol

Open in Covalent MOL file

Alcohol Alkene Ester Ketone

Properties

Molecular formula: C₂₄H₃₄O₅
Molar mass: 402.53 g/mol
Exact mass: 402.2406 Da
logP: 3.77Crippen estimate
Polar surface area: 80.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4
Stereocentres: R, S, R, R, S, Sin SMILES atom order

Hazards

Warning

H341 Suspected of causing genetic defects66.7% of notifiers
H361fd Suspected of damaging fertility; Suspected of damaging the unborn child33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

19608-29-8

SMILES

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

InChIKey

GPNHMOZDMYNCPO-PDUMRIMRSA-N

InChI

InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1

Weigh it out

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

Names and synonyms

4 names

Pregn-4-ene-3,20-dione, 21-hydroxy-17-(1-oxopropoxy)-
Pregn-4-ene-3,20-dione, 17,21-dihydroxy-, 17-propionate
Clascoterone
Winlevi

Work with 21-Hydroxy-17-(1-oxopropoxy)pregn-4-ene-3,20-dione

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

11-Deoxycortisol152-58-968 % similar Psi 352707-13C,D31256490-46-666 % similar Hydrocortisone 17-butyrate13609-67-166 % similar Hydroxyprogesterone caproate630-56-862 % similar 17-Acetoxyisopregn-4-ene-3,20-dione17308-02-059 % similar Progesterone acetate302-23-859 % similar Methyltestosterone58-18-459 % similar 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Gamabufotalin465-11-2 Telocinobufagin472-26-4 Dehydrocholic acid81-23-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook