IUPAC name
(10S,11S,14R,15S,17R)-14-acetyl-17-[4-(dimethylamino)phenyl]-15-methyl-5-oxotetracyclo[8.7.0.0²,
SMILES
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
Compound class
Contraceptive Agents; Sex Hormones and Modulators of the Genital System; Genito Urinary System and Sex Hormones; Hormonal Contraceptives for Systemic Use; Emergency Contraceptives; Progesterone Receptor Modulators; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors;
Therapeutic area
Emergency contraception after unprotected intercourse or possible contraceptive failure.
Common name
Ulipristal
IUPAC name
(10S,11S,14R,15S,17R)-14-acetyl-17-[4-(dimethylamino)phenyl]-15-methyl-5-oxotetracyclo[8.7.0.0²,
SMILES
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
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
FORMULA
C30H37NO4
Common name
Ulipristal
IUPAC name
(10S,11S,14R,15S,17R)-14-acetyl-17-[4-(dimethylamino)phenyl]-15-methyl-5-oxotetracyclo[8.7.0.0²,
Molecular weight
475.619
clogP
5.249
clogS
-6.161
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
63.68
Number of Rings
5
Rotatable Bond
5
