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Δ-5(10)-Norethindrone Acetate

CAT: 0572-TRC-N675995-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N675995-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19637-28-6
Synonyms
3-Oxo-19-nor-17alpha-pregn-5(10)-en-20-yn-17-yl Acetate; Norethisterone Acetate Imp. B (EP)
Hazard Statement
Suspected of causing cancer; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@]12C)C#C
Molecular Formula
C22 H28 O3
Molecular Weight
340.46
InChI
InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,18-20H,5-13H2,2-3H3/t18-,19-,20+,21+,22+/m1/s1
Additionnal Information
IUPAC name: [(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Delta-5(10)-Norethindrone Acetate
CAS Number19637-28-6
PubChem CID54193985
IUPAC Name[(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC22H28O3
Molecular Weight340.5
XLogP2.7
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity708
SMILES
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3CCC(=O)C4)C)C#C
InChI
InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,18-20H,5-13H2,2-3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey
PKMFOAKNKZEDBU-AANPDWTMSA-N
Chemical Structure
2D Structure
2D structure of Delta-5(10)-Norethindrone Acetate
CAS: 19637-28-6
CID: 54193985
Formula: C22H28O3
MW: 340.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.5
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass340.20384475
Monoisotopic Mass340.20384475
Topological Polar Surface Area43.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity708
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

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Alternative Products

CatalogName
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AR-N01749-016,10-Dihydroxy Norethindrone Acetate
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