AG00IALI

59729-32-7 | (S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide

AG00IALI

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CAS Number	59729-32-7
Catalog Number	AG00IALI(AGN-PC-07CF71)
Chemical Name	(S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide
EC Number	261-890-6
IUPAC Name	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
InChI	InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H
InChI Key	WIHMBLDNRMIGDW-UHFFFAOYSA-N
MDL Number	MFCD02101306
Molecular Formula	C20H22BrFN2O
Molecular Weight	405.3039
NSC Number	758684
SMILES	N#CC1=CC2=C(C(C3=CC=C(F)C=C3)(CCCN(C)C)OC2)C=C1.[H]Br
Synonyms	Celexa, Citalopram, Citalopram Hydrobromide, Cytalopram, Escitalopram, Escitalopram Oxalate, Lexapro, Lu-10-171, Lu10171, Seropram, citalopram hydrobromide, 59729-32-7, Citalopram HBr, Cipramil, Celexa, 1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide, Elopram, Seropram, Bonitrile HBr, Citalopram (hydrobromide), Nitalapram HBr, Prepram HBr, HSDB 7042, EINECS 261-890-6, Lu 10-171-B, Citalopram hydrobromide [USAN], Lu 10-171 HBr, MFCD02101306, 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide, AK-72795, CPD000326936, Lu 10-171, Q-200865, W-105304, Citalopram hydrobromide (USAN), 1-(3-(dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile monohydrobromide, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile hydrobromide, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile hydrobromide, 1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrobromide, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide, 5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, monohydrobromide, SMR000326936, LU-10171B, SR-01000003129, Apertia, Prisdal, citalopram-hbr, Lupram, Sepram, recital hydrobromide, 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile Hydrobromide, Citalopram hydrobromide [USAN:USP], Celexa (TN), 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile, AC1L2U9E, SCHEMBL1118, C20H21FN2O.HBr, MLS000758293, MLS000860078, MLS001401376, MLS002222294, ARK092, CHEMBL1200781, CTK8B3679, KS-00000FXR, DTXSID40872344, WIHMBLDNRMIGDW-UHFFFAOYSA-N, Pharmakon1600-01504172, HY-B1287, Lu-10-171B, CITALOPRAM, HYDROBROMIDE SALT, Tox21_500258, ANW-42935, BG0143, NSC758684, s4749, ZD 211, ZD-211, AKOS005145738, AB10921, AC-1595, API0006328, BCP9000537, CCG-101022, CCG-213271, CS-4735, KS-1043, LP00258, NC00272, NSC-758684, RP17855, NCGC00093717-01, NCGC00093717-02, NCGC00093717-03, NCGC00260943-01, AN-14765, BC207875, BR-72795, Citalopram hydrobromide, >=98% (HPLC), LS-84329, SAM001246599, SAM001247086, SC-18021, AB0107058, AB1010898, AX8121801, ST2403129, TL8003797, TR-020691, 4CH-017662, EU-0100258, FT-0600173, C 7861, D00822, J10477, 729C327, A832439, I06-0616, SR-01000003129-2, SR-01000003129-4, ( inverted exclamation markA)-Citalopram hydrobromide, SR-01000003129-10, Z1550648760, Citalopram Hydrobromide 0.1 mg/ml in Methanol (as free base), Citalopram Hydrobromide 1.0 mg/ml in Methanol (as free base), Citalopram hydrobromide, European Pharmacopoeia (EP) Reference Standard, Citalopram hydrobromide, United States Pharmacopeia (USP) Reference Standard, Citalopram for system suitability, European Pharmacopoeia (EP) Reference Standard, Citalopram Hydrobromide, Pharmaceutical Secondary Standard; Certified Reference Material, (S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide, 1-(3-(Dimethylamino)propyl)-1,-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrobromide, 1-(3-Dimethylamino-propyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile hydrobromide, 1-(4-fluorophenyl)-1-[1,1,2,2,3,3-hexadeuterio-3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrilehydrobromide, 5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-,monohydrobromide, Citalopram hydrobromide solution, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material, Citalopram hydrobromide solution, 100 mug/mL in methanol (as free base), ampule of 1 mL, certified reference material, citalopram, Nitalapram, Cipram, Cisatracurium besylate, citalopram hydrochloride, UNII-I1E9D14F36, C20H22BrFN2O, C20H21FN2O.BrH, I1E9D14F36, CID77995, C20-H21-F-N2-O.Br-H, ACN-048282, CS-O-07659, Lu-10-171, C2370, 59729-33-8, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrobromide, 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, monohydrobromide, 5-isobenzofurancarbonitrilo, 1-[3-(dimetilamino)propil]-1-(4-fluorofenil)-1,3-dihidro-, bromhidrato (1:1),

Complexity	466
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	404.09g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	405.311g/mol
Monoisotopic Mass	404.09g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number