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6beta-Hydroxy Norethindrone

CAT: 1134-ESS0002-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:1134-ESS0002-02Size:250 mg
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CAS Number
51724-44-8
GHS Codes
GHS08
P Phrases
P201, P202, P280
Structure Composition
C 76.40% H 8.34% O 15.27%
Synonyms
6β-Hydroxy Norethindrone, 6beta-Hydroxy Norethindrone, (6β,17α) -6,17-Dihydroxy-19-norpregn-4-en-20-yn-3-one; 6β,17β-Dihydroxy-17α-ethynylestr-4-en-3-one; 6β,17β-Dihydroxy-19-nor-17α-pregn-4-en-20-yn-3-one; 6β-Hydroxynorethindrone; 6β-Hydroxynorethisterone; Norethisterone Impurity H (EP)
H Phrases
H351, H360
UDF Signal Word
Danger
Hazard Statement
Not dangerous goods.
Applications
Norethindrone impurity
Molecular Formula
C20H26O3
Molecular Weight
314.42842
Packaging Group
Not Available. Not dangerous goods.
Shipping Conditions
Room temerature
Storage Conditions
Freezer @ -20ºC
Hazardous Class
Not dangerous goods.

Chemical Information

6beta-Hydroxynorethindrone
CAS Number51724-44-8
PubChem CID71748798
IUPAC Name(6R,8R,9S,10R,13S,14S,17R)-17-ethynyl-6,17-dihydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC20H26O3
Molecular Weight314.4
XLogP1.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity626
SMILES
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O
InChI
InChI=1S/C20H26O3/c1-3-20(23)9-7-17-15-11-18(22)16-10-12(21)4-5-13(16)14(15)6-8-19(17,20)2/h1,10,13-15,17-18,22-23H,4-9,11H2,2H3/t13-,14-,15-,17+,18-,19+,20+/m1/s1
InChIKey
RONQVEAZNZIVHW-BHJGDWCPSA-N
Chemical Structure
2D Structure
2D structure of 6beta-Hydroxynorethindrone
CAS: 51724-44-8
CID: 71748798
Formula: C20H26O3
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass314.18819469
Monoisotopic Mass314.18819469
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity626
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes