Chelist Moleculee
JRC CODE:JRC-000234
cas:68-23-5
einecs:200-682-1
smiles:[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3
name:Noretynodrel
MW:298.4192
formula:C20H26O2
InChi:
InChiKey:
SMARTS:
Other names
19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-, (17α)-
19-Nor-17α-pregn-5(10)-en-20-yn-3-one, 17-hydroxy- (6CI,8CI)
13-Methyl-17-ethynyl-17-hydroxy-1,2,3,4,6,7,8,9,11,12,13,14,16,17-tetradecahydro-15H-cyclopenta[a]phenanthren-3-one
17-Hydroxy-19-nor-17α-pregn-5(10)-en-20-yn-3-one
17α-Ethinyl-17β-hydroxy-Δ5(10)-estren-3-one
17α-Ethynyl-17-hydroxy-5(10)-estren-3-one
17α-Ethynyl-17β-hydroxy-5(10)-estrene-3-one
17α-Ethynyl-17β-hydroxy-Δ 5(10)-estren-3-one
17α-Ethynylestr-5(10)-ene-17β-ol-3-one
17α-Ethynylestra-5(10)-ene-17β-ol-3-one
17β-Hydroxy-19-nor-17α-pregn-5(10)-en-20-yn-3-one
3-Oxo-17β-hydroxy-17α-ethynyl-5(10)-estrene
Enidrel
NSC 15432
Norethinodrel
Norethynodrel
Noretynodrel
SC 4642

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

NICEATM ED (78): Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study (Method Validation)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)