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Ulipristal Acetate

CAT: 0024-sc-474991Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-474991Size:10 mg
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CAS Number
126784-99-4

Chemical Information

Ulipristal Acetate

Ulipristal acetate is a 20-oxo steroid obtained by acetylation of the 17-hydroxy group of (11beta,17alpha)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-ol (ulipristal). A selective progesterone receptor modulator, which is employed as an emergency contraceptive. It has a role as a contraceptive drug, a progestin and a progesterone receptor modulator. It is a 20-oxo steroid, an acetate ester, a steroid ester, a 3-oxo-Delta(4) steroid and a tertiary amino compound. It is functionally related to an estradiol.

CAS Number126784-99-4
PubChem CID130904
IUPAC Name[(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC30H37NO4
Molecular Weight475.6
XLogP3.5
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity984
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)OC(=O)C
InChI
InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1
InChIKey
OOLLAFOLCSJHRE-ZHAKMVSLSA-N
Chemical Structure
2D Structure
2D structure of Ulipristal Acetate
CAS: 126784-99-4
CID: 130904
Formula: C30H37NO4
MW: 475.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.6
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass475.27225866
Monoisotopic Mass475.27225866
Topological Polar Surface Area63.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity984
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

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Alternative Products

CatalogName
B1049-5Ulipristal acetate
HY-16508SUlipristal acetate-d6
HY-16508S1-01Ulipristal acetate-d3
A21041-200Ulipristal acetate 200mg
A21041-50Ulipristal acetate 50mg
A21041-10Ulipristal acetate 10mg
CS-O-57269Ulipristal acetate Impurity A

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