AG002BJN

198481-33-3 | 1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-, acetate (1:1)

AG002BJN

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CAS Number	198481-33-3
Catalog Number	AG002BJN(AGN-PC-0QPW5C)
Chemical Name	1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-, acetate (1:1)
IUPAC Name	acetic acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
InChI	InChI=1S/C30H34N2O3.C2H4O2/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31;1-2(3)4/h6-15,20,33-34H,2-5,16-19,21H2,1H3;1H3,(H,3,4)
InChI Key	OMZAMQFQZMUNTP-UHFFFAOYSA-N
MDL Number	MFCD09260074
Molecular Formula	C32H38N2O5
Molecular Weight	530.6545
SMILES	CC1=C(C3=CC=C(O)C=C3)N(CC4=CC=C(OCCN5CCCCCC5)C=C4)C2=C1C=C(O)C=C2.OC(C)=O
UNII	J70472UD3D
Synonyms	bazedoxifene, bazedoxifene acetate, TSE 424, TSE-424, TSE424, WAY-140424, Bazedoxifene acetate, 198481-33-3, Viviant, Bazedoxifene (acetate), Bazedoxifene Acetate, WAY-140424, TSE 424, Bazedoxifene-Acetate, UNII-J70472UD3D, WAY-TES 424, J70472UD3D, NCGC00182055-02, Bazedoxifene-d4, DSSTox_CID_28583, DSSTox_RID_82854, DSSTox_GSID_48657, 1-(4-(2-(azepan-1-yl)ethoxy)benzyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol acetate, 1-[[4-[2-(Hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol Acetate, CAS-198481-33-3, Brilence, Bazedoxifene Acetate [USAN], 1-{4-[2-(Azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol acetate, Bazedoxifene acetate [USAN:JAN], acetic acid;1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol, Viviant (TN), 1133695-49-4, AC1L4BYC, SCHEMBL635726, CHEMBL2106615, DTXSID3048657, Bazedoxifene acetate (JAN/USAN), OMZAMQFQZMUNTP-UHFFFAOYSA-N, BCP19656, HY-A0036, Tox21_113013, AC-099, AN-418, MFCD09260074, s2167, AKOS015896590, Tox21_113013_1, ACN-031425, API0005000, CS-1020, NCGC00182055-03, 1-(p-(2-(Hexahydro-1H-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol monoacetate (salt), 1H-Indol-5-ol, 1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-, monoacetate (salt), AK110437, AS-19563, BC203248, AB0000974, AB2000536, LS-191849, ST2406638, A3233, FT-0084335, FT-0660250, Y0396, A11665, B-2184, D03062, I06-2227, 1-(p-(2-(Hexahydro-1H-azepin-1-yl)ethoxy)benzyl)-2-(p-hydroxyphenyl)-3-methylindol-5-ol monoacetate (salt), 1H-Indol-5-ol, 1-((4-(2-(hexahydro-1H-azepin-1-yl)ethoxy)phenyl)methyl)-2-(4-hydroxyphenyl)-3-methyl-, monoacetate (salt), 1H-Indol-5-ol, 1-[[4-[2-(hexahydro-1H-azepin-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-, acetate (1:1), acetic acid; 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methyl-indol-5-ol, acetic acid; 1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol, Bazedoxifene, null, Conbriza, TSE-424, TSE424, C32H38N2O5, CID154256, C30H34N2O3.?C2H4O2, CS-O-01021, C447119, 198480-56-7, 198481-32-2,

Complexity	654
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	530.278g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	530.665g/mol
Monoisotopic Mass	530.278g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	95.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number