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Norethindrone

CAS: 68-22-4 | C20H26O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 68-22-4
Molecular Formula: C20H26O2
Molecular Weight: 298.42600000000004 g/mol

Names and Synonyms:

Norethindrone
Norethindrone
Noretisterone Dak
Nor-QD
Menzol
Mini-pill
Norcolut
Utovlan
Conludag
Normapause
Triella
17α-Ethynyl-3-oxo-4-estren-17β-ol
Norgestin
Norfor
Proluteasi
NSC 9564
Gestest
Anovule
17β-Hydroxy-17α-ethynylestr-4-en-3-one
Ethynylnortestosterone
SC 4640
Noralutin
Norluten
Micronovum
Mini-Pe
Micronett
Micronor
Conludaf
Norpregneninolone
19-Norandrost-4-en-3-one, 17α-ethynyl-17β-hydroxy-
17α-Ethynyl-17-hydroxyest-4-en-3-one
17α-Ethynyl-17-hydroxyestr-4-en-3-one
Estr-4-ene-17α-ethynyl-17β-ol-3-one
Ethinylnortestosterone
Norethynodrone
Primolut N
19-Nortestosterone, 17-ethynyl-
Norluton
Norlutin
19-Nor-17α-ethynyltestosterone
19-Nor-17α-ethynyl-17β-hydroxy-4-androsten-3-one
19-Nor-17α-ethynylandrosten-17β-ol-3-one
Norethisterone
Norethisteron
17α-Ethynyl-19-nortestosterone
17-Hydroxy-19-nor-17α-pregn-4-en-20 yn-3-one
17α-Ethynyl-19-nor-androst-4-en-17β-ol-3-one
17α-Ethynyl-17β-hydroxy-19-norandrost-4-en-3-one
17α-Ethynyl-17β-hydroxyestr-4-en-3-one
17α-Ethynyl-17-hydroxy-4-estrene-3-one
17α-Ethinyl-19-nortestosterone
17α-Ethinyl-17β-hydroxy-Δ4-estren-3-one
17α-Ethinylestr-4-en-17β-ol-3-one
(17α)-17-Hydroxy-19-norpregn-4-en-20-yn-3-one
19-Nor-17α-pregn-4-en-20-yn-3-one, 17-hydroxy-
19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-, (17α)-

Identifiers:

SMILES:
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChI:
InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 298.43 g/mol Legacy Database
cas-canonical-smile O=C1C=C2CCC3C(CCC4(C)C3CCC4(O)C#C)C2CC1 None Legacy Database
cas-inchi InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1 None Legacy Database
cas-inchi-key InChIKey=VIKNJXKGJWUCNN-XGXHKTLJSA-N None Legacy Database
cas-melting-point 203-204 °C None Legacy Database
cas-name Norethindrone None Legacy Database
LogP 3.4925000000000024 RDKit

Molecular

Property Value Source
Molecular Weight 298.42600000000004 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 298.193280072 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 22 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 37.3 Ų RDKit

Molar

Property Value Source
Molar Refractivity 85.87580000000005 RDKit

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