AG0004KV

101477-54-7 | Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]-, hydrochloride (1:2)

AG0004KV

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CAS Number	101477-54-7
Catalog Number	AG0004KV(AGN-PC-0JLNTO)
Chemical Name	Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]-, hydrochloride (1:2)
IUPAC Name	1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride
InChI	InChI=1S/C27H30F2N2O3.2ClH/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20;;/h4-13,25H,14-18H2,1-3H3;2*1H
InChI Key	LOGVKVSFYBBUAJ-UHFFFAOYSA-N
MDL Number	MFCD01703867
Molecular Formula	C27H32Cl2F2N2O3
Molecular Weight	541.4574
SMILES	COC1=CC=C(C(OC)=C1OC)CN2CCN(C(C3=CC=C(F)C=C3)C4=CC=C(F)C=C4)CC2.[H]Cl.[H]Cl
UNII	3W473D5LIY
Synonyms	1-(bis(4-fluorophenyl)methyl)-4-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride, KB 2796, KB-2796, lomerizine, lomerizine dihydrochloride, Lomerizine hydrochloride, 101477-54-7, Lomerizine dihydrochloride, Lomerizine HCl, Terranas, LOMERIZINE 2HCL, UNII-3W473D5LIY, KB 2796, KB-2796, 1-[BIS(4-FLUOROPHENYL)METHYL]-4-(2,3,4-TRIMETHOXYBENZYL)PIPERAZINE DIHYDROCHLORIDE, 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride, 3W473D5LIY, MFCD01703867, 1-(bis(4-fluorophenyl)methyl)-4-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride, 1-(2,3,4-Trimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine dihydrochloride, 1-(Bis(4-fluorophenyl)methyl)-4-((2,3,4-trimethoxyphenyl)methyl)piperazine dihydrochloride, DSSTox_CID_26427, DSSTox_RID_81605, DSSTox_GSID_46427, Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-((2,3,4-trimethoxyphenyl)methyl)-, dihydrochloride, CAS-101477-54-7, NCGC00164543-01, lomerizine-hcl, Migsis, 1-(2,3,4-trimethoxybenzyl)-4-[bis(4-fluorophenyl)methyl]piperazine dihydrochloride, Terranas (TN), Lomerizine Hydrochlortde, AC1L3U0Y, C27H32Cl2F2N2O3, Lomerizine hydrochloride (JAN), SCHEMBL1153647, CHEMBL2356978, DTXSID1046427, C27H30F2N2O3.2HCl, CTK6J4130, HY-B0768A, LOGVKVSFYBBUAJ-UHFFFAOYSA-N, BCP12061, Tox21_112172, DE-090, s4084, AKOS015900365, Tox21_112172_1, AC-2040, NCGC00164543-02, AN-14347, H763, LS-110465, RT-013592, CS-0012057, FT-0627971, L0245, SW197640-2, A16599, D02633, 477L547, A800394, I14-0643, J-000407, Lomerizine dihydrochloride, >=98% (HPLC), powder, 101477-54-7, 101477-55-8(free base), 1-(bis(4-fluorophenyl)methyl)-4-(2,3,4-trimethoxybenzyl)piperazine hydrochloride, Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]-, hydrochloride (1:2), lomerizine, C27H30F2N2O3.2ClH, ACN-S001256, CID122125, CL0043, C27-H30-F2-N2-O3.2Cl-H, B1782, C052424, Lomerizine dihydrochloride, 99%, a new L- and T-type calcium channel blocker - 1G 1g,

Complexity	568
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	540.176g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	541.461g/mol
Monoisotopic Mass	540.176g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	34.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H410
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

Lot Number