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Norethynodrel

CAT: 0926-FN26448-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FN26448-05Size:50 mg
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CAS Number
68-23-5
Synonyms
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; (17��) -17-hydroxy-19-norpregn-5 (10) -en-20- yn-3-one
Smiles
C[C@]12CC[C@H]3[C@H] ([C@@H]1CC[C@]2 (C#C) O) CCC4=C3CCC (=O) C4
Molecular Formula
C20H26O2
Molecular Weight
298.42 g/mol
Controlled
No

Chemical Information

Norethynodrel

Norethynodrel can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number68-23-5
PubChem CID6231
IUPAC Name(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC20H26O2
Molecular Weight298.4
XLogP2.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity606
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4
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/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey
ICTXHFFSOAJUMG-SLHNCBLASA-N
Chemical Structure
2D Structure
2D structure of Norethynodrel
CAS: 68-23-5
CID: 6231
Formula: C20H26O2
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass298.193280068
Monoisotopic Mass298.193280068
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-N676020-2.5MGNorethynodrel
TRC-N676020-25MGNorethynodrel (>90%)

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