Aglepristone

CAT: 0013-GTR19201882-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19201882-02Size:50 mg

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Description

Aglepristone is a synthetic antiprogestogen and antiglucocorticoid structurally analogous to mifepristone. It is primarily employed in veterinary medicine as an abortifacient. This compound is also utilized in research to study progesterone and glucocorticoid receptor functions in both in vitro and in vivo models.

CAS Number

124478-60-0

Field of Research

Metabolism Research

Smiles

C[C@@]12[C@] ([C@]3 (C ([C@H] (C1) C4=CC=C (N (C) C) C=C4) =C5C (CC3) =CC (=O) CC5) [H]) (CC[C@]2 (/C=C\C) O) [H]

Molecular Formula

C29H37NO2

Molecular Weight

431.62

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Aglepristone

Aglepristone is an oxo steroid.

CAS Number	124478-60-0
PubChem CID	14153279
IUPAC Name	(8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(Z)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Formula	C29H37NO2
Molecular Weight	431.6
XLogP	4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	858

SMILES

C/C=C\[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O

InChI

InChI=1S/C29H37NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h5-7,9-10,15,17,24-26,32H,8,11-14,16,18H2,1-4H3/b15-5-/t24-,25+,26-,28-,29-/m0/s1

InChIKey

RTCKAOKDXNYXEH-FWSJOHTJSA-N

Chemical Structure

2D Structure

CAS: 124478-60-0

CID: 14153279

Formula: C29H37NO2

MW: 431.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	431.6
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	431.282429423
Monoisotopic Mass	431.282429423
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	858
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-135730-01	Aglepristone

Aglepristone

Chemical Information

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