Ulipristal acetate
Properties
- Molecular formula
- C30H37NO4
- Molar mass
- 475.63 g/mol
- Exact mass
- 475.2723 Da
- Melting point
- 183–185 °C
- logP
- 5.54Crippen estimate
- Polar surface area
- 63.7 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 4
- Stereocentres
- R, S, S, R, Sin SMILES atom order
Hazards
Danger
- H302 Harmful if swallowed75% of notifiers
- H312 Harmful in contact with skin12.5% of notifiers
- H319 Causes serious eye irritation12.5% of notifiers
- H332 Harmful if inhaled12.5% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
- H360 May damage fertility or the unborn child25% of notifiers
- H361 Suspected of damaging fertility or the unborn child62.5% of notifiers
- H361fd Suspected of damaging fertility; Suspected of damaging the unborn child12.5% of notifiers
- H362 May cause harm to breast-fed children25% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
126784-99-4SMILES
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21CInChIKey
OOLLAFOLCSJHRE-ZHAKMVSLSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- 17α-Acetoxy-11β-[4-N,N-dimethylaminophenyl]-19-norpregna-4,9-diene-3,20-dione
- EllaOne
- Esmya
- 17-Acetoxy-11β-[(4-(N,N-dimethylamino)phenyl]-19-norpregna-4,9-diene-3,20-dione
- 17-Acetyloxy-11β-[(4-(N,N-dimethylamino)phenyl]-19-norpregna-4,9-diene-3,20-dione
- 17-Acetoxy-11β-[(4-(dimethylamino)phenyl]-19-norpregna-4,9-diene-3,20-dione
- 19-Norpregna-4,9-diene-3,20-dione, 17-(acetyloxy)-11-[4-(dimethylamino)phenyl]-, (11β)-
- (11β)-17-(Acetyloxy)-11-[4-(dimethylamino)phenyl]-19-norpregna-4,9-diene-3,20-dione
- CDB 2914
- RTI 3021-012
- CBD(VA) 2914
- VA 2914
- 17α-Acetoxy-11β-(4-dimethylaminophenyl)-19-norpregna-4,9-dien-3,20-dione
- RU 44675
- HRP 2000
Work with Ulipristal acetate
Similar compounds
Ulipristal159811-51-577 % similar
Mifepristone84371-65-363 % similar
Nomegestrol acetate58652-20-344 % similar
17-Acetoxyisopregn-4-ene-3,20-dione17308-02-042 % similar
Progesterone acetate302-23-842 % similar
Chlormadinone acetate302-22-741 % similar
Fluorogestone acetate2529-45-541 % similar
Megestrol acetate595-33-541 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.