Dydrogesterone

C₂₁H₂₈O₂CAS 152-62-5312.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₂₈O₂
Molar mass: 312.45 g/mol
Exact mass: 312.2089 Da
Melting point: 169–170 °C
logP: 4.50Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1
Stereocentres: S, S, S, S, R, Sin SMILES atom order

Hazards

Danger

H372 Causes damage to organs through prolonged or repeated exposure97.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects91.3% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P273, P319, P391, P501

Identifiers

CAS number

152-62-5

SMILES

CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C

InChIKey

JGMOKGBVKVMRFX-HQZYFCCVSA-N

InChI

InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all

Pregna-4,6-diene-3,20-dione, (9β,10α)-
9β,10α-Pregna-4,6-diene-3,20-dione
(9β,10α)-Pregna-4,6-diene-3,20-dione
6-Dehydro-9β,10α-progesterone
6α-Dehydro-retro-δ4-pregnene-3,20-dione
6-Dehydroretroprogesterone
Diphaston
Hydrogesterone
Retro-6-dehydroprogesterone
Retroprogesterone, 6-dehydro-
Terolut
Isopregnenone
δ6-Retroprogesterone
Duphaston
Gestatron
Prodel
Retrone
Dufaston
Duvaron
Gynorest
NSC 92336

Work with Dydrogesterone

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.

Pregna-4,6-diene-3,20-dione1162-56-7Diastereomer

Similar compounds

Progesterone57-83-061 % similar Canrenone976-71-652 % similar Pregn-4-ene-3,11,20-trione516-15-451 % similar 11α-Hydroxyprogesterone80-75-151 % similar Canrenoate potassium2181-04-648 % similar (17Beta)-3-Oxoandrost-4-ene-17-carboxylic acid302-97-648 % similar Pregnenolone145-13-144 % similar Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate2681-55-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pregna-4,16-diene-3,20-dione1096-38-4 Guggulsterone39025-23-5 Ethisterone434-03-7 Tibolone5630-53-5 Norgestrel6533-00-2 Levonorgestrel797-63-7 Guggulsterone95975-55-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook