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Norgestimate metabolite Norelgestromin (mixture of isomers) - 98%, high purity , Progesterone receptor agonist, CAS No.53016-31-2, Progesterone receptor agonist

≥98%

CAS#: 53016-31-2
Formula: C₂₁H₂₉NO₂
Molecular Weight: 327.46
Beilstein Registry Number: 4202099
PubChem CID: 9568628

Item Number

D336719

Grouped product items
SKU	Size	Availability	Price
D336719-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$40.90
D336719-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
D336719-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$131.90
D336719-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90
D336719-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$369.90

a Norgestimate metabolite

View related series

Drug Metabolite Metabolic Enzyme/Protease

Basic Description

Synonyms	((E)-Norelgestromin) \| DTXSID9046788 \| (3E)-13.BETA.-ETHYL-3-(HYDROXYIMINO)-18,19-DINOR-17.ALPHA.-PREGN-4-EN-20-YN-17-OL \| 17-Deacetylnorgestimate, (E)- \| 18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, oxime, (3E,17alpha)- \| NCGC00485891-01 \| RW
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Action Type	AGONIST
Mechanism of action	Progesterone receptor agonist
Product Description	Norgestimate metabolite Norelgestromin is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Product Properties

pKa	pKₐ: 12.22 (Predicted)
ALogP	3.6

Associated Targets(Human)

NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
INCHI	InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15+/t16-,17+,18+,19-,20-,21-/m0/s1
InChi Key	ISHXLNHNDMZNMC-VTKCIJPMSA-N
Canonical SMILES	CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NO)CCC34
Isomeric SMILES	CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N/O)/CC[C@H]34
PubChem CID	9568628
Molecular Weight	327.46
Beilstein	4202099

Certificates

Certificate of Analysis(COA)

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10 results found

Lot Number	Certificate Type	Date	Item
E2428517	Certificate of Analysis	Feb 23, 2024	D336719
E2428518	Certificate of Analysis	Feb 23, 2024	D336719
E2428519	Certificate of Analysis	Feb 23, 2024	D336719
E2428520	Certificate of Analysis	Feb 23, 2024	D336719
E2428521	Certificate of Analysis	Feb 23, 2024	D336719
E2428522	Certificate of Analysis	Feb 23, 2024	D336719
E2428523	Certificate of Analysis	Feb 23, 2024	D336719
E2428536	Certificate of Analysis	Feb 23, 2024	D336719
E2428537	Certificate of Analysis	Feb 23, 2024	D336719
E2428554	Certificate of Analysis	Feb 23, 2024	D336719

Chemical and Physical Properties

Solubility	Soluble in dichloromethane, chloroform, methanol, and ethyl acetate.
Refractive Index	n20D1.63 (Predicted)
Boil Point(°C)	~491.9° C at 760 mmHg (Predicted)
Melt Point(°C)	107-109° C

Safety and Hazards(GHS)

Pictogram(s)	GHS08, GHS07
Signal	Danger
Hazard Statements	H351:Suspected of causing cancer H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled H360:May damage fertility or the unborn child
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P203:Obtain, read and follow all safety instructions before use. P301+P317:IF SWALLOWED: Get medical help. P318:if exposed or concerned, get medical advice. P317:Get emergency medical help.

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