chempirical

Nomegestrol

C21H28O3CAS 58691-88-6328.45 g/mol

Open in Covalent MOL file
OHOO
AlcoholAlkeneKetone

Properties

Molecular formula
C21H28O3
Molar mass
328.45 g/mol
Exact mass
328.2038 Da
logP
3.61Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
R, S, S, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
58691-88-6
SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChIKey
KZUIYQJTUIACIG-YBZCJVABSA-N
InChI
InChI=1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3/t15-,16-,18-,19+,20+,21+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • 19-Norpregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-
  • 17-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione
  • TX 071
  • Monaco
  • Thermex

Work with Nomegestrol

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

Nomegestrol acetate58652-20-371 % similar Megestrol3562-63-866 % similar Gestonorone2137-18-064 % similar 17β-Hydroxyprogesterone604-09-156 % similar 17α-Hydroxyprogesterone68-96-256 % similar Medroxyprogesterone520-85-452 % similar Medrogestone977-79-750 % similar 21-Deoxycortisone1882-82-248 % similar

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

Same formula

16Alpha,17alpha-Epoxyprogesterone1097-51-4 17β-Acetoxyandrosta-1,4-dien-3-one2363-59-9 Pregn-4-ene-3,11,20-trione516-15-4 Methyl 13-cis-4-Oxoretinoate71748-57-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook