AG006GUR

67469-78-7 | Vanoxerine dihydrochloride(GBR12909)

AG006GUR

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CAS Number	67469-78-7
Catalog Number	AG006GUR(AGN-PC-0JLEKB)
Chemical Name	Vanoxerine dihydrochloride(GBR12909)
IUPAC Name	1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
InChI	InChI=1S/C28H32F2N2O.2ClH/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23;;/h1-3,5-6,8-15,28H,4,7,16-22H2;2*1H
InChI Key	MIBSKSYCRFWIRU-UHFFFAOYSA-N
MDL Number	MFCD00055193
Molecular Formula	C28H34Cl2F2N2O
Molecular Weight	523.4852
SMILES	FC1=CC=C(C(C2=CC=C(F)C=C2)OCCN3CCN(CCCC4=CC=CC=C4)CC3)C=C1.[H]Cl.[H]Cl
UNII	MWO1IP03EV
Synonyms	1-(2 (bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine, 1-(2 (bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine dihydrochloride, GBR 12909, GBR-12909, I 893, I-893, vanoxeamine, vanoxerine, 67469-78-7, Vanoxerine dihydrochloride, GBR 12909 dihydrochloride, GBR-12909 dihydrochloride, GBR-12909, Vanoxerine hydrochloride, UNII-MWO1IP03EV, Vanoxerine dihydrochloride(GBR12909), I 893, I-893, MWO1IP03EV, GBR12909 dihydrochloride, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine dihydrochloride, 1-(2-[bis(4-Fluorophenyl)methoxy]ethyl)-4-(3-phenylpropyl)piperazine dihydrochloride, Vanoxeamine, CHEBI:64086, MFCD00055193, 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazine dihydrochloride, NCGC00015300-05, AK186951, 1-(2 (Bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine di-hcl, DSSTox_CID_22570, DSSTox_RID_80049, DSSTox_GSID_42570, J-502921, CHEMBL543876, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride, 1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-[3-phenylpropyl]piperazine dihydrochloride, Piperazine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)-, dihydrochloride, SR-01000075379, CAS-67469-78-7, Vanoxerine (dihydrochloride), Prestwick_664, Vanoxerinedihydrochloride, AC1L2XPW, AC1Q3AML, Vanoxenine dihydrochloride, Vanoxerine(dihydrochloride), SCHEMBL725103, Vanoxerine(GBR-12909) /, DTXSID1042570, MIBSKSYCRFWIRU-UHFFFAOYSA-N, HMS1569M13, KS-00000T9Q, Tox21_110125, Tox21_500446, ABP000311, BN0220, AKOS024458037, Tox21_110125_1, AN-3656, CCG-220386, CCG-221750, LP00446, RL04564, NCGC00015300-10, NCGC00093862-01, NCGC00261131-01, 4CA-1310, AT-37030, LS-107633, D-052, EU-0100446, FT-0722032, A10725, Q-9382, 469G787, A1-04930, SR-01000075379-1, SR-01000075379-3, SR-01000075379-6, GBR 12909 dihydrochloride, solid, >=98% (HPLC), 1-(2-bis-[4-FLUOROPHENYL]-METHOXYETHYL)-4-(3-PHENYL-2-PROPYL)PIPERAZINE, 1-[2-[Bis-(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride, 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylpropyl)piperazinediium dichloride, Vanoxerine, Vanoxerine 2HCl, Gbr 12909, D00WLO, cc-298, C28H32F2N2O.2ClH, AR-1B9770, CID104920, C28-H32-F2-N2-O.2Cl-H, C043425, 1-(2 (bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine, 1-(2 (bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenylpropyl)piperazine dihydrochloride, 68258-71-9,

Complexity	498
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	522.202g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	523.49g/mol
Monoisotopic Mass	522.202g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	15.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number