AG00BY9R

3818-50-6 | Bephenium (hydroxynaphthoate)

AG00BY9R

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CAS Number	3818-50-6
Catalog Number	AG00BY9R(AGN-PC-0RFUXP)
Chemical Name	Bephenium (hydroxynaphthoate)
EC Number	223-306-8
IUPAC Name	benzyl-dimethyl-(2-phenoxyethyl)azanium;3-carboxynaphthalen-2-olate
InChI	InChI=1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1
InChI Key	PMPQCPQAHTXCDK-UHFFFAOYSA-M
MDL Number	MFCD00078960
Molecular Formula	C28H29NO4
Molecular Weight	443.5342
SMILES	C[N+](C)(CC1=CC=CC=C1)CCOC2=CC=CC=C2.O=C([O-])C3=C(O)C=C4C=CC=CC4=C3
UNII	47RU9546DX
Synonyms	Alcopar, bephenium hydroxynaphthoate, Naphthamone, BEPHENIUM HYDROXYNAPHTHOATE, 3818-50-6, Bephenium (hydroxynaphthoate), UNII-47RU9546DX, 47RU9546DX, Naphthammonum, Naphthammon, Alcopar, Befenium, Bephenii hydroxynaphthoas, Hidroxinaftoato de befenio, Hydorxynaphtoate de bephenium, benzyl-dimethyl-(2-phenoxyethyl)azanium;3-hydroxynaphthalene-2-carboxylate, C17H22NO.C11H7O3, Bephene oxinaphtoate, EINECS 223-306-8, Bephenii hydroxynaphthoas [INN-Latin], Hidroxinaftoato de befenio [INN-Spanish], Bephenium hydroxynaphthoate [USP:INN:BAN], Hydorxynaphtoate de bephenium [INN-French], AC1L2ELH, Bephenium(hydroxynaphthoate), SCHEMBL466996, CHEMBL1673148, DTXSID8022662, CTK8F8087, HMS2093D12, HMS2097L14, HMS3714L14, 2263AH, Benzyldimethyl(2-phenoxyethyl)ammonium 3-hydroxy-2-naphthoate (1:1), HY-12639A, AKOS026749857, API0015105, API0016254, CCG-213548, CS-3886, KS-00001D09, Benzenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, salt with 3-hydroxy-2-naphthalenecarboxylic acid (1:1), FT-0712569, SW199402-2, Bephenium hydroxynaphthoate, analytical standard, Benzyldimethyl(2-phenoxyethyl)ammonium-3-hydroxy-2-naphthoate, N-benzyl-N,N-dimethyl-2-phenoxyethanaminium 3-hydroxy-2-naphthoate, benzyl-dimethyl-(2-phenoxyethyl)azanium; 3-hydroxynaphthalene-2-carboxylate, Bephenium hydroxynaphthoate, United States Pharmacopeia (USP) Reference Standard, N,N-dimethyl-N-(phenylmethyl)-2-(phenyloxy)ethanaminium 3-hydroxynaphthalene-2-carboxylate, Nemex, bephenium embonate, BEPHENIUMHYDROXYNAPHTHOATE, BEPHENIUM HYDROXYNAPTHOATE, CID19666, Bephenium hydroxynaphthoate [BAN:INN], Bephenium hydroxynaphthoate [INN:BAN], C17-H22-N-O.C11-H7-O3, A8376, Ammonium, benzyldimethyl(2-phenoxyethyl)-, salt with 3-hydroxy-2-naphthoic acid (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	443.21g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	443.543g/mol
Monoisotopic Mass	443.21g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
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

Lot Number