AG006166

67469-81-2 | GBR 12935 dihydrochloride

AG006166

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CAS Number	67469-81-2
Catalog Number	AG006166(AGN-PC-00IQSG)
Chemical Name	GBR 12935 dihydrochloride
IUPAC Name	1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride
InChI	InChI=1S/C28H34N2O.2ClH/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;/h1-9,11-12,14-17,28H,10,13,18-24H2;2*1H
InChI Key	NQWRSILGEXNJIT-UHFFFAOYSA-N
MDL Number	MFCD00083175
Molecular Formula	C28H36Cl2N2O
Molecular Weight	487.5042
SMILES	[H]Cl.[H]Cl.N1(CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CCN(CCCC4=CC=CC=C4)CC1
Synonyms	GBR 12935 dihydrochloride, 67469-81-2, GBR-12935 dihydrochloride, GBR 12935 (dihydrochloride), 1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride, MFCD00083175, 1-(2-DIPHENYLMETHOXYETHYL)-4-(3-PHENYLPROPYL)PIPERAZINE DIHYDROCHLORIDE, GBR 12935 HCl, CHEBI:64091, 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine dihydrochloride, 1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)-piperazine dihydrochloride, 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazinediium dichloride, SR-01000075429, 1-(2-(Benzhydryloxy)ethyl)-4-(3-phenylpropyl)piperazine dihydrochloride, 76778-22-8, EU-0100560, GBR12935 dihydrochloride, GBR12935(dihydrochloride), C28H34N2O.2ClH, SCHEMBL339982, GBR-12935 2HCl, CHEMBL1330764, DTXSID6042573, CTK8G0008, KS-00001CWV, AOB2532, EX-A451, BCP09762, Tox21_500560, 3692AH, BN0221, AKOS024458512, AN-3496, CCG-221864, CS-3130, LP00560, NCGC00093945-01, NCGC00261245-01, 4CA-0553, AK326672, HY-12242, LS-111942, FT-0726457, G 9659, C-55147, SR-01000075429-1, SR-01000075429-3, GBR 12935 dihydrochloride, >=98% (TLC), powder, 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine dihydrochloride, 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride, 1-(2-DIPHENYLMETHOXYETHYL)-4-(3-PHENYLPROPYL)PIPERAZINE 2HCL, Piperazine,1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)-, hydrochloride (1:2), GBR-12935, Gbr 12935, NQWRSILGEXNJIT-UHFFFAOYSA-N, GBR12935, CID11957553, 1- -4- PIPERAZINEDIHYDROCHLORIDE, 67469-81-2 (HCl), B4661, A11937,

Complexity	440
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	486.22g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	487.509g/mol
Monoisotopic Mass	486.22g/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 Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number