AG002J79

207679-81-0 | Benzenemethanol, 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-

AG002J79

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CAS Number	207679-81-0
Catalog Number	AG002J79(AGN-PC-0QWL9U)
Chemical Name	Benzenemethanol, 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-
IUPAC Name	2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
InChI	InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/t20-/m1/s1
InChI Key	DUXZAXCGJSBGDW-HXUWFJFHSA-N
MDL Number	MFCD09264524
Molecular Formula	C22H31NO2
Molecular Weight	341.4870
SMILES	OC1=CC=C(CO)C=C1[C@@H](C2=CC=CC=C2)CCN(C(C)C)C(C)C
UNII	YU871O78GR
Synonyms	(R)-N,N-diisopropyl-3-(2-hydroxy-5-hydroxymethylphenyl)-3-phenylpropanamine, 5-hydroxymethyl tolterodine, PNU 200577, PNU-200577, 207679-81-0, Desfesoterodine, (R)-5-Hydroxymethyl tolterodine, 5-Hydroxymethyl Tolterodine, (R)-2-(3-(Diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenol, PNU-200577, 5-HMT, UNII-YU871O78GR, Desfesoterodine [INN], 5-hydroxymethyl Tolterodine (PNU 200577, 5-HMT, 5-HM), PNU 200577, R-5-Hydroxymethyl Tolterodine, YU871O78GR, Desfesoterodine (INN), 5-Hydroxymethyltolterodine, 3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxybenzenemethanol, Benzenemethanol, 3-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-hydroxy-, C22H31NO2, (R)-2-[3-(Diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol, (+)-N,N-Diisopropyl-3-(2-hydroxy-5-hydroxymethylphenyl)-3-phenylpropylamine, Benzenemethanol, 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-, Intermediate of Fesoterodine, SCHEMBL209062, 5-HM, ZINC6047, CHEMBL3348932, CTK8B7520, DTXSID40431319, DUXZAXCGJSBGDW-HXUWFJFHSA-N, DD 01, BCP02922, SPM-7605, (r)-(+)-2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxymethylphenol, ANW-57551, PNU200577, s2659, AKOS005146249, AKOS015841720, AN-6919, CS-0825, RTC-071527, 5-hydroxymethyl-tolterodine-pnu-200577, NCGC00346585-01, AC-23943, AJ-08263, AK-77526, HY-76569, BCP0726000296, AB1006363, AX8163153, TC-071527, 5-hydroxymethyl tolterodine (PNU 200577), 5-hydroxymethyl tolterodine - PNU 200577, FT-0669853, ST24035248, SW219846-1, X7590, D10853, W-5400, 264H524, J-013606, I14-11119, PNU 200577; 207679-81-0, (R)-2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxy methyl phenol, (R)-2-(3-diisopropylamino-1-phenylpropyl)-4-hydroxy methylphenol, (R)-2-(3-Diisopropylamino-1-phenylpropyl)-4-hydroxymethylphenol, (R)-4-hydroxymethyl-2-(3-diisopropylamino-1-phenylpropyl)-phenol, 2-[(1R)-3-(diisopropylamino)-1-phenyl-propyl]-4-(hydroxymethyl)phenol, 2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-(hydroxymethyl)phenol, CID9819382, CS-O-05836, B1617, A11166, 2-[3-(dipropan-2-ylamino)-1-phenyl-propyl]-4-(hydroxymethyl)phenol,

Complexity	357
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	341.235g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	341.495g/mol
Monoisotopic Mass	341.235g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	43.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H319-H360
Packing Group	Ⅲ
Precautionary statements	P201-P202-P264-P270-P280-P281-P301+P312-P305+P351+P338-P308+P313-P330-P337+P313-P405-P501
UN Code	UN 2811

Certificate of Analysis

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