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Nomegestrol Acetate

CAT: 0572-TRC-N635855-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N635855-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58652-20-3
Synonyms
Nomegestrol acetate; 6-Methyl-3,20-dioxo-19-norpregna-4,6-dien-17-yl acetate
Hazard Statement
May be harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(=O)C
Molecular Formula
C23 H30 O4
Molecular Weight
370.48
InChI
InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h11-12,17-18,20-21H,5-10H2,1-4H3/t17-,18-,20-,21+,22+,23+/m1/s1
Additionnal Information
IUPAC name: [(8S,9S,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Nomegestrol Acetate

Nomegestrol acetate is a corticosteroid hormone.

CAS Number58652-20-3
PubChem CID91668
IUPAC Name[(8S,9S,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC23H30O4
Molecular Weight370.5
XLogP2.6
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity775
SMILES
CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@H]4C1=CC(=O)CC4
InChI
InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h11-12,17-18,20-21H,5-10H2,1-4H3/t17-,18-,20-,21+,22+,23+/m1/s1
InChIKey
IIVBFTNIGYRNQY-YQLZSBIMSA-N
Chemical Structure
2D Structure
2D structure of Nomegestrol Acetate
CAS: 58652-20-3
CID: 91668
Formula: C23H30O4
MW: 370.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.5
XLogP32.6
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
Complexity775
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

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