Products for Research Use Only
RegisterLogin

Asoprisnil

CAT: 1596-AR-A02650-02Size: 25 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-A02650-02Size:25 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
199396-76-4
Synonyms
(E) -4- ((8S,11R,13S,14S,17S) -17-methoxy-17- (methoxymethyl) -13-methyl-3-oxo-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl) benzaldehyde oxime; [C (E) ]-4-[ (11?,17?) -17-Methoxy-17- (methoxymethyl) -3-oxoestra-4,9-dien-11-yl]-, 1-oxime Benzaldehyde; J 867
Molecular Formula
C28H35NO4
Molecular Weight
449.59
API Name
Asoprisnil

Chemical Information

Asoprisnil

Asoprisnil (J867) is a selective progesterone receptor modulator. It can be used to treat progesterone sensitive myomata.

CAS Number199396-76-4
PubChem CID9577221
IUPAC Name(8S,11R,13S,14S,17S)-11-[4-[(E)-hydroxyiminomethyl]phenyl]-17-methoxy-17-(methoxymethyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC28H35NO4
Molecular Weight449.6
XLogP3.2
Topological Polar Surface Area68.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity867
SMILES
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)C5=CC=C(C=C5)/C=N/O
InChI
InChI=1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1
InChIKey
GJMNAFGEUJBOCE-MEQIQULJSA-N
Chemical Structure
2D Structure
2D structure of Asoprisnil
CAS: 199396-76-4
CID: 9577221
Formula: C28H35NO4
MW: 449.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.6
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass449.25660860
Monoisotopic Mass449.25660860
Topological Polar Surface Area68.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity867
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
BA9259-1Asoprisnil
441826-01Asoprisnil-D3
A19030-1Asoprisnil 1mg
A19030-5Asoprisnil 5mg
MBS5776397Asoprisnil ecamate
A19030-10Asoprisnil 10mg
A19030-50Asoprisnil 50mg
461270O-Desmethyl-asoprisnil
TRC-D290868-100MGO-Desmethyl-asoprisnil-13CD315N

Popular Products