chempirical

Norgestrel

C21H28O2CAS 6533-00-2312.45 g/mol

Open in Covalent MOL file
HOO
AlcoholAlkeneAlkyneKetone

Properties

Molecular formula
C21H28O2
Molar mass
312.45 g/mol
Exact mass
312.2089 Da
Melting point
205–207 °C
logP
3.88Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
R, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
6533-00-2
SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
InChIKey
WWYNJERNGUHSAO-PYYZKRFANA-N
InChI
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/s2

Weigh it out

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

Names and synonyms

21 names · show all
  • 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17α)-(±)-
  • 18,19-Dinor-17α-pregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (±)-
  • (17α)-(±)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one
  • Wy 3707
  • (±)-17α-Ethynyl-13β-ethylgon-4-en-17β-ol-3-one
  • 13-Ethyl-17α-ethynyl-17β-hydroxy-4-gonen-3-one
  • (±)-Norgestrel
  • Dl-11β-Ethyl-17α-ethynyl-17β-hydroxygon-4-en-3-one
  • α-Norgestrel
  • SH 70850
  • FH 122A
  • (±)-13-Ethyl-17α-ethynyl-17-hydroxygon-4-en-3-one
  • Dl-13-β-Ethyl-17-α-ethynyl-17-β-hydroxygon-4-en-3-one
  • (±)-17α-Ethynyl-13-ethyl-17-hydroxygon-4-en-3-one
  • Monovar
  • SH 850
  • Postinor
  • Dl-Norgestrel
  • Neogest
  • Methylnorethindrone
  • Ovrette

Work with Norgestrel

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

Norethindrone68-22-473 % similar Etonogestrel54048-10-171 % similar Gestodene60282-87-365 % similar Norethandrolone52-78-858 % similar 13-Ethylgon-4-ene-3,17-dione21800-83-953 % similar (±)-13β-Ethylgon-4-ene-3,17-dione23477-67-053 % similar Methylnortestosterone514-61-453 % similar Norgestimate35189-28-753 % similar

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

Same formula

Pregna-4,16-diene-3,20-dione1096-38-4 Pregna-4,6-diene-3,20-dione1162-56-7 Dydrogesterone152-62-5 Z-Guggulsterone39025-23-5 Ethisterone434-03-7 Tibolone5630-53-5 Levonorgestrel797-63-7 Guggulsterone95975-55-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook