AG001REN

159811-51-5 | 19-Norpregna-4,9-diene-3,20-dione, 11-[4-(dimethylamino)phenyl]-17-hydroxy-, (11β)-

AG001REN

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CAS Number	159811-51-5
Catalog Number	AG001REN(AGN-PC-00N2AG)
Chemical Name	19-Norpregna-4,9-diene-3,20-dione, 11-[4-(dimethylamino)phenyl]-17-hydroxy-, (11β)-
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
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
InChI Key	HKDLNTKNLJPAIY-WKWWZUSTSA-N
MDL Number	MFCD19443756
Molecular Formula	C28H35NO3
Molecular Weight	433.5824
SMILES	O=C1CCC2=C3[C@@H](C4=CC=C(N(C)C)C=C4)C[C@]5(C)[C@@](O)(C(C)=O)CC[C@@]5([H])[C@]3([H])CCC2=C1
UNII	6J5J15Q2X8
Synonyms	17alpha-acetoxy-11beta-(4-N,N-dimethylaminophenyl)-19-norpregna-4,9-diene-3,20-dione, CDB 2914, CDB-2914, HRP 2000, HRP-2000, RTI-3021-012, RTI-3021-022, ulipristal, VA-2914, VA2914, Ulipristal, 159811-51-5, Uliprisnil, UNII-6J5J15Q2X8, 6J5J15Q2X8, C28H35NO3, (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, ellae, Ulipristal [USAN:INN:BAN], PGL 4001, VA-2914, Deacetyl CDB 2914, Ulipristal (USAN/INN), SCHEMBL545159, CHEMBL2103846, HKDLNTKNLJPAIY-WKWWZUSTSA-N, (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, AMX10182, CDB 3236, 2779AH, EBD146589, s3081, ZINC34089131, AKOS025401807, API0013849, DB08867, AC-25786, FT-0675730, D09567, (8S,11R,13S,14S,17R)-17-acetyl-11-(4-(dime, 11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-19-norpregna-4,9-diene-3,20-dione, 11beta-(4-N,N-dimethylaminophenyl)-17alpha-hydroxy-19-norpregna-4,9-diene-3,20-dione, 11beta-[4-(N,N-dimethylamino)-phenyl]-17alpha-hydroxy-19-norpregn-4,9-diene-3,20-dione;, 19-Norpregna-4,9-diene-3,20-dione,11-[4-(dimethylamino)phenyl]-17-hydroxy-, (11b)-, (8S,11R,13S,14S,17R)-17-acetyl-11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one, thylamino)phenyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one, Esmya, Ulipristal acetate, Ulipristal [INN], Ella (TN), Ulipristal [USAN:INN], D0V4WD, CDB-2914, HRP 2000, VA 2914, ACN-053816, RTI-3021-012, B2134, (11|A)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione, (11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione, 11-[4-(N,N-dimethylamino)-phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione, 11beta-[4-(N,N-diMethylaMino)-phenyl]-17alpha-hydroxy-19-norpregna-4,9-diene-3,20-dione,

Complexity	877
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	433.262g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	433.592g/mol
Monoisotopic Mass	433.262g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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