AG003908

103146-26-5 | 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide

AG003908

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CAS Number	103146-26-5
Catalog Number	AG003908(AGN-PC-0OS5ZB)
Chemical Name	4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide
EC Number	600-398-1
IUPAC Name	4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile;hydrobromide
InChI	InChI=1S/C20H23FN2O2.BrH/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;/h4-9,12,24-25H,3,10-11,14H2,1-2H3;1H
InChI Key	RVGFHORHCHHPCZ-UHFFFAOYSA-N
MDL Number	MFCD08436978
Molecular Formula	C20H24BrFN2O2
Molecular Weight	423.3192
SMILES	OCc1cc(C#N)ccc1C(c1ccc(cc1)F)(CCCN(C)C)O.Br
Synonyms	103146-26-5, 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hydrobromide, Citadiol hydrobromide, 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide, 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile monohydrobromide, AK-56233, 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl) benzonitrile hydrobromide, AR-011/42531550, Citadiol HBr, C20H24BrFN2O2, SCHEMBL3623042, CTK8B4943, KS-00000NWC, DTXSID60582039, BCP14000, ANW-46779, CD-737, MFCD08436978, AKOS015918319, AC-5999, QC-1515, RL00147, AC-27034, AN-10424, AS-15377, Benzonitrile, 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)-, hydrobromide (1:1), P101, SC-73599, AX8093261, ST2405358, TC-135524, FT-0658033, 146D265, I14-7888, 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxyb, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-butyl]-3-(hydroxymethyl)benzonitrile hydrobromide, 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile--hydrogen bromide (1/1), 4-[4-Dimethylamino-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hydrobromide, UNII-5G2RC58G1K, 5G2RC58G1K, 4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydr oxymethyl)benzonitrile hydrobromide, 4-[4-Dimethylamino-1-(4-fluorophenyl)-1-hydroxy butyl]-3-hydroxymethyl- benzonitrile-hydrobromide, Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, monohydrobromide,

Complexity	456
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	422.101g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	423.326g/mol
Monoisotopic Mass	422.101g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	67.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

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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