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Ulipristal

CAT: 1596-AR-U01014-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-U01014-02Size:25 Units
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CAS Number
159811-51-5
Synonyms
(8S,11R,13S,14S,17R) -17-acetyl-11- (4- (dimethylamino) phenyl) -17-hydroxy-13-methyl-6,7,8,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3 (2H) -one; (11?) -11-[4- (Dimethylamino) phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione; CDB 3236; Deacetyl CDB 2914
Molecular Formula
C28H35NO3
Molecular Weight
433.6
API Name
Ulipristal

Chemical Information

Ulipristal

Ulipristal is a 20-oxo steroid.

CAS Number159811-51-5
PubChem CID13559281
IUPAC Name(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC28H35NO3
Molecular Weight433.6
XLogP2.9
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity877
SMILES
CC(=O)[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/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27-,28-/m0/s1
InChIKey
HKDLNTKNLJPAIY-WKWWZUSTSA-N
Chemical Structure
2D Structure
2D structure of Ulipristal
CAS: 159811-51-5
CID: 13559281
Formula: C28H35NO3
MW: 433.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.6
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass433.26169398
Monoisotopic Mass433.26169398
Topological Polar Surface Area57.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity877
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B2134-5.1Ulipristal
B1049-5Ulipristal acetate

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