AG001TWG

163222-33-1 | 2-Azetidinone, 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3R,4S)-

AG001TWG

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CAS Number	163222-33-1
Catalog Number	AG001TWG(AGN-PC-0Q8D9Y)
Chemical Name	2-Azetidinone, 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3R,4S)-
IUPAC Name	(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
InChI	InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
InChI Key	OLNTVTPDXPETLC-XPWALMASSA-N
MDL Number	MFCD30189368
Molecular Formula	C24H21F2NO3
Molecular Weight	409.4252
SMILES	FC1=CC=C(C=C1)N1C([C@@H]([C@H]1C1=CC=C(C=C1)O)CC[C@H](O)C1=CC=C(C=C1)F)=O
UNII	EOR26LQQ24
Synonyms	(1-(4-fluorophenyl)-(3R)-(3-(4-fluorophenyl)-(3S)-hydroxypropyl)-(4S)-(4-hydroxyphenyl)-2-azetidinone), 58235, SCH, ezetimib, ezetimibe, Ezetrol, SCH 58235, SCH-58235, SCH58235, Zetia, Ezetimibe, 163222-33-1, Zetia, Ezetrol, Ezedoc, Sch 58235, SCH-58235, (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one, UNII-EOR26LQQ24, (-)-Sch 58235, Ezetimibe (Zetia), EOR26LQQ24, CHEBI:49040, 1-(4-fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-hydroxypropyl]-4(S)-(4-hydroxyphenyl)-2-azetidinone, DSSTox_CID_24223, DSSTox_RID_80127, DSSTox_GSID_44223, (3R,4S)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one, (3R,4S)-1-(p-Fluorophenyl)-3-((3S)-3-(p-fluorophenyl)-3-hydroxypropyl)-4-(p-hydroxyphenyl)-2-azetidinone, Zient, Ezetimibe [USAN:INN], SCH58235, (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxy-propyl]-4-(4-hydroxyphenyl)azetidin-2-one, 2-Azetidinone, 1-(4-fluorophenyl)-3-((3S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-, (3R,4S)-, 2-Azetidinone, 1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)-, (3R-(3alpha(S*),4beta))-, SMR000466334, CAS-163222-33-1, Zetia (TN), ezetimiba, ezetimibum, Ezetimibe (JAN/USAN/INN), Ezetimibe [USAN:INN:BAN], Zetia ;Ezetrol, C24H21F2NO3, HSDB 7737, Ezetimibe(Zetia), NCGC00095134-01, 2-Azetidinone, 1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-, (3R,4S)-, MK-0653, SCHEMBL2871, CHEMBL1138, MLS000759443, MLS001424125, MLS006011921, AC1L442L, GTPL6816, DTXSID1044223, Ezetimibe, >=98% (HPLC), EX-A795, OLNTVTPDXPETLC-XPWALMASSA-N, HMS2051K16, HMS2236A04, HMS3715D06, ACT03511, AMX10142, ZINC3810860, Tox21_111443, ABP001091, BDBM50371521, MFCD00937872, s1655, STK640490, AKOS005572111, Tox21_111443_1, AC-1057, AM84560, AN-5188, CCG-100884, CS-1016, DB00973, KS-1170, MCULE-4417284526, NC00134, RL02093, 1-(4-fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-(4-hydroxyphenyl)-2-azetidione, NCGC00263575-01, NCGC00263575-07, BC216471, CPD000466334, HY-17376, SAM001246623, SC-17354, AB0011316, AB2000199, LS-181801, FT-0601590, D01966, K-5098, 28055-EP2272841A1, 28055-EP2280001A1, 28055-EP2287165A2, 28055-EP2287166A2, 28055-EP2292620A2, 28055-EP2294052A1, 28055-EP2295422A2, 28055-EP2298742A1, 28055-EP2298769A1, 28055-EP2298776A1, 28055-EP2301923A1, 28055-EP2301936A1, 28055-EP2308878A2, 28055-EP2314588A1, AB00639916-06, AB00639916-08, AB00639916_09, 222E331, 3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one, BRD-K42260897-001-09-2, Z1550648770, (3R,4S)-1-(4-fluorophenyl)-3-((S)-3-(4-fluorophenyl)-, Ezetimibe, United States Pharmacopeia (USP) Reference Standard, Ezetimibe, Pharmaceutical Secondary Standard; Certified Reference Material, (3R,4S)-1-(4-fluorophenyl)-3-[(3 S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one, (3R,4S)-1-(4-Fluorophenyl)-3-[(S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-azetidin-2-one, ezetimib, Vytorin, ezentia, Mixture Name, Vytorin (TN), ent-Ezetimibe Ketone, MSD brand of ezetimibe, Inegy (TN), Essex brand of ezetimibe, Merck brand of ezetimibe, D09LWS, Zetia , Ezetrol, Ezetimibe, cc-336, Schering-Plough brand of ezetimibe, Ezetimibe, 98% - 10mg 10mg, C24-H21-F2-N-O3, CID150311, 58235, SCH, ACN-034430, CS-O-11646, CS-P-02363, A10379, C108606, D000069438, (1-(4-fluorophenyl)-(3R)-(3-(4-fluorophenyl)-(3S)-hydroxypropyl)-(4S)-(4-hydroxyphenyl)-2-azetidinone), 2-azetidinona, 1-(4-fluorofenil)-3-[(3s)-3-(4-fluorofenil)-3-hidroxipropil]-4-(4-hidroxifenil)-, (3r,4s)-,

Complexity	567
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	409.149g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	409.433g/mol
Monoisotopic Mass	409.149g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	60.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number