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Aglepristone

CAT: 0931-T21132-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T21132-02Size:25 mg
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CAS Number
124478-60-0
Target
Others, Endogenous Metabolite
Related Pathways
Others, Metabolism
Bioactivity
Aglepristone is a synthetic steroidal antiprogestogen related to mifepristone and possesses some antiglucocorticoid activity. It is specifically used as an abortifacient in pregnant animals.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Aglepristone

Aglepristone is an oxo steroid.

CAS Number124478-60-0
PubChem CID14153279
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 FormulaC29H37NO2
Molecular Weight431.6
XLogP4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity858
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
2D structure of Aglepristone
CAS: 124478-60-0
CID: 14153279
Formula: C29H37NO2
MW: 431.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.6
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass431.282429423
Monoisotopic Mass431.282429423
Topological Polar Surface Area40.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity858
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-135730-01Aglepristone

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