AG002W3S

286930-03-8 | Propanoic acid, 2-methyl-, 2-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl ester, (2E)-2-butenedioate (1:1)

AG002W3S

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CAS Number	286930-03-8
Catalog Number	AG002W3S(AGN-PC-04T98E)
Chemical Name	Propanoic acid, 2-methyl-, 2-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl ester, (2E)-2-butenedioate (1:1)
IUPAC Name	(E)-but-2-enedioic acid;[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate
InChI	InChI=1S/C26H37NO3.C4H4O4/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6;5-3(6)1-2-4(7)8/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t23-;/m1./s1
InChI Key	MWHXMIASLKXGBU-RNCYCKTQSA-N
MDL Number	MFCD12756004
Molecular Formula	C30H41NO7
Molecular Weight	527.6490
SMILES	C(=C/C(O)=O)\C(O)=O.[C@H](CCN(C(C)C)C(C)C)(C1=C(OC(C(C)C)=O)C=CC(CO)=C1)C2=CC=CC=C2
UNII	EOS72165S7
Synonyms	fesoterodine, fesoterodine fumarate, toviaz, Fesoterodine fumarate, 286930-03-8, Toviaz, SPM 907, UNII-EOS72165S7, SPM 8272, SPM-907, EOS72165S7, SPM-8272, Fesoterodine maleate, 2-((1R)-3-(Diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl isobutyrate, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl 2-methylpropanoate hydrogen (2E)-butenedioate (salt), Propanoic acid, 2-methyl-, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl ester, (2E)-2-butenedioate (1:1) (salt), Fesoterodine fumarate [USAN], C26H37NO3.C4H4O4, Fesoterodine fumarate [USAN:JAN], Fesoterodinefumarate, Toviaz (TN), Fesoterodine fumarate/, fesoterodine; fumaric acid, Fesoterodine-fumarate-Toviaz, Fesoterodine fumarate, Toviaz, MLS003915638, SCHEMBL814971, Fesoterodine fumarate - Toviaz, SCHEMBL1993632, CHEMBL1201765, Fesoterodine fumarate (JAN/USP), MWHXMIASLKXGBU-RNCYCKTQSA-N, BCPP000231, (E)-but-2-enedioic acid,[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate, HY-A0030, ABP000771, AN-490, MFCD12756004, s2240, AKOS005146248, AKOS015855886, AC-3486, BCP9000682, CS-0822, Fesoterodine fumarate|286930-03-8, KS-1298, SB19323, AT-36463, BC244477, SMR002544691, LS-184117, X5023, PF-00695838, D08923, 930F038, (E)-but-2-enedioic acid;[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate, [2-[(1R)-3-(diisopropylamino)-1-phenyl-propyl]-4-(hydroxymethyl)phenyl] 2-methylpropanoate; fumaric acid, Fesoterodinefumarate;(R)-Fesoterodine Fumarate;2-Methylpropanoic Acid 2-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl Ester (2E)-2-Butenedioate, Propanoic acid, 2-methyl-, 2-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl ester, (2E)-2-butenedioate (1:1), Fesoterodine, (R)-Fesoterodine fumarate, cc-121, CID9849808, CID 9849808, C26-H37-N-O3.C4-H4-O4, B1618, A10386,

Complexity	610
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	527.288g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	527.658g/mol
Monoisotopic Mass	527.288g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	124A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number