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Nestorone

CAT: 0013-GTR19155179-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155179-01Size:500 mg
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Description
Nestoron2 (ST1435, Elcometrine) is a 19-norprogesterone derivative and steroidal progestin which is used as a hormonal contraceptive, a high-affinity agonist of the progesterone receptor..
CAS Number
7759-35-5
Purity
>98%
Smiles
O=C1CC[C@@H]2[C@H]3CC[C@@]4 ([C@@] (C (C[C@H]4[C@@H]3CCC2=C1) =C) (OC (=O) C) C (=O) C) C
Molecular Formula
C23H30O4
Molecular Weight
370.4819
Notes
For research use only.

Chemical Information

Segesterone Acetate

Elcometrine is a corticosteroid hormone.

CAS Number7759-35-5
PubChem CID108059
IUPAC Name[(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC23H30O4
Molecular Weight370.5
XLogP2.9
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity762
SMILES
CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)C
InChI
InChI=1S/C23H30O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h12,18-21H,1,5-11H2,2-4H3/t18-,19+,20+,21-,22-,23-/m0/s1
InChIKey
CKFBRGLGTWAVLG-GOMYTPFNSA-N
Chemical Structure
2D Structure
2D structure of Segesterone Acetate
CAS: 7759-35-5
CID: 108059
Formula: C23H30O4
MW: 370.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.5
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass370.21440943
Monoisotopic Mass370.21440943
Topological Polar Surface Area60.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity762
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19168579-01Nestoron

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CatalogName
MBS3605928-01Nestorone
AR-N08445-01Nestorone (Segesterone Acetate)
AR-N08446-01Nestorone-d6 (Segesterone-d6 Acetate)

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