AG00DB9C

553-08-2 | HEXADECYL[2-([P-METHOXYBENZYL]-2-PYRIMIDINYLAMINO)ETHYL]DIMETHYL-AMMONIUM BROMIDE

AG00DB9C

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CAS Number	553-08-2
Catalog Number	AG00DB9C(AGN-PC-0SJ0C3)
Chemical Name	HEXADECYL[2-([P-METHOXYBENZYL]-2-PYRIMIDINYLAMINO)ETHYL]DIMETHYL-AMMONIUM BROMIDE
EC Number	209-032-1
IUPAC Name	hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium;bromide
InChI	InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1
InChI Key	WBWDWFZTSDZAIG-UHFFFAOYSA-M
MDL Number	MFCD00133855
Molecular Formula	C32H55BrN4O
Molecular Weight	591.7093
SMILES	C[N+](CCN(CC1=CC=C(OC)C=C1)C2=NC=CC=N2)(CCCCCCCCCCCCCCCC)C.[Br-]
UNII	JI2B19CR0R
Synonyms	thonzonium bromide, THONZONIUM BROMIDE, 553-08-2, Tonzonium bromide, Thonzide, Thonzonium (bromide), UNII-JI2B19CR0R, NC 1264, JI2B19CR0R, MLS002154065, SMR001233380, Tonzonium bromide (INN), Tonzonium bromide [INN], DSSTox_CID_25326, DSSTox_RID_80805, DSSTox_GSID_45326, Tonzonii bromidum, Hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethylammonium bromide, Hexadecyl(2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl)dimethylammonium bromide, Bromuro de tonzonio, Bromure de tonzonium, SR-01000841261, NCGC00016507-01, CAS-553-08-2, Tonzoniumbromid, Nebair, Tonzonii bromidum [INN-Latin], Thonzonium bromide [USAN:USP], Hexadecyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethylammonium bromide, Bromure de tonzonium [INN-French], Bromuro de tonzonio [INN-Spanish], Thonzide (TN), NSC 5648, EINECS 209-032-1, AC1L1WME, Thonzonium Bromide (USAN), SCHEMBL60801, C32H55N4O.Br, REGID_for_CID_11102, CHEMBL1200883, DTXSID1045326, NSC5648, HMS1570J12, HMS2097J12, HMS2234H11, HMS3714J12, Pharmakon1600-01503873, HY-B1246, NSC-5648, Tox21_110463, 2755AH, MFCD00133855, NSC760359, AKOS026750378, Tox21_110463_1, API0009025, CCG-213228, CS-4957, NC-1264, NSC-760359, NCGC00016507-05, D02140, SR-01000841261-2, SR-01000841261-3, Cetyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethylammonium bromide, Ammonium, hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethyl-, bromide (8CI), hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium bromide, HEXADECYL[2-([P-METHOXYBENZYL]-2-PYRIMIDINYLAMINO)ETHYL]DIMETHYL-AMMONIUM BROMIDE, 1-Hexadecanaminium, N-(2-(((4-methoxyphenyl)methyl)-2-pyrimidinylamino)ethyl)-N,N-dimethyl-, bromide, N-(2-((4-Methoxybenzyl)(pyrimidin-2-yl)amino)ethyl)-N,N-dimethylhexadecan-1-aminium bromide, Ammonium, bromide, component of Nebair, Coly-Mycin S Otic, Thonzonium bromide [USAN], C32H55BrN4O, C32-H55-Br-N4-O, CID11102, 1-Hexadecanaminium,N-dimethyl-, bromide, B4962, C000609116, 1-Hexadecanaminium, N-[2-[[(4-methoxyphenyl)methyl]-2-pyrimidinylamino]ethyl]-N,N-dimethyl-, bromide,

Complexity	515
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	590.356g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	591.723g/mol
Monoisotopic Mass	590.356g/mol
Rotatable Bond Count	22
Topological Polar Surface Area	38.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302+H312+H332-H315-H318-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312+P330-P305+P351+P338+P310
UN Code	UN 1759

Certificate of Analysis

Lot Number