AG007F78

1052532-15-6 | SBE13 Hydrochloride

AG007F78

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CAS Number	1052532-15-6
Catalog Number	AG007F78(AGN-PC-00IKHI)
Chemical Name	SBE13 Hydrochloride
IUPAC Name	N-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
InChI	InChI=1S/C24H27ClN2O4.ClH/c1-28-20-7-4-17(12-22(20)29-2)10-11-26-14-18-5-8-21(23(13-18)30-3)31-16-19-6-9-24(25)27-15-19;/h4-9,12-13,15,26H,10-11,14,16H2,1-3H3;1H
InChI Key	QBGSVDJLQQXEGG-UHFFFAOYSA-N
MDL Number	MFCD20036266
Molecular Formula	C24H28Cl2N2O4
Molecular Weight	479.3961
SMILES	COC1=CC=C(CCNCC2=CC=C(OCC3=CC=C(Cl)N=C3)C(OC)=C2)C=C1OC.[H]Cl
Synonyms	SBE13 hydrochloride, 1052532-15-6, SBE 13 hydrochloride, SBE 13 HCl, SBE13 (Hydrochloride), N-[[4-[(6-Chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3,4-dimethoxybenzeneethanamine hydrochloride, MLS000538104, sbe-13-hcl, C24H27ClN2O4.ClH, SBE-13 HCl;SBE13 HCl, CHEMBL1584055, SCHEMBL18797681, CTK8E6510, AOB6814, DTXSID10474576, EX-A814, BCP23836, KS-00000LF0, 4031AH, s7720, AKOS024458077, CS-3785, AK340937, HY-15158, SMR000161652, SBE 13 hydrochloride, >=98% (HPLC), B5857, A14426, J-001365, N-({4-[(6-Chloropyridin-3-yl)methoxy]-3-methoxyphenyl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine--hydrogen chloride (1/1), N-(4-((6-Chloro-3-pyridinyl)methoxy)-3-methoxybenzyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)amine; N-[[4-[(6-Chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-3,4-dimethoxy-benzeneethanamine hydrochloride, N-(4-((6-chloropyridin-3-yl)methoxy)-3-methoxybenzyl)-2-(3,4-dimethoxyphenyl)ethanamine hydrochloride, N-{4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]amine, SBE 13 (Hydrochloride), SBE13, CID11948807, N-(4-((6-chloropyridin-3-yl)methoxy)-3-methoxybenzyl)-2-(3,4-dimethoxyphenyl)ethanamine,

Complexity	500
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	478.143g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	479.398g/mol
Monoisotopic Mass	478.143g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
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