AG006WD4

500579-04-4 | GANT 61(NSC 136476)

AG006WD4

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CAS Number	500579-04-4
Catalog Number	AG006WD4(AGN-PC-0JR0YE)
Chemical Name	GANT 61(NSC 136476)
IUPAC Name	2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline
InChI	InChI=1S/C27H35N5/c1-29(2)25-12-7-5-10-23(25)20-31-18-9-19-32(27(31)22-14-16-28-17-15-22)21-24-11-6-8-13-26(24)30(3)4/h5-8,10-17,27H,9,18-21H2,1-4H3
InChI Key	KVQOGDQTWWCZFX-UHFFFAOYSA-N
MDL Number	MFCD14635408
Molecular Formula	C27H35N5
Molecular Weight	429.6003
NSC Number	136476
SMILES	CN(C)C1=CC=CC=C1CN2C(C3=CC=NC=C3)N(CC4=CC=CC=C4N(C)C)CCC2
Synonyms	GANT 61, GANT-61, GANT61, GANT61, 500579-04-4, GANT 61, GANT-61, NSC136476, NSC 136476, GANT 61(NSC 136476), GNT61, 2,2'-((2-(pyridin-4-yl)dihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene))bis(N,N-dimethylaniline), CHEMBL471728, NSC-136476, 2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline, C27H35N5, AC1L9L9T, NCIStruc1_001747, NCIStruc2_001814, SCHEMBL12831665, CHEBI:94276, CTK8E8380, DTXSID50329591, EX-A339, CHEBI:140908, BCP08050, 2423AH, BDBM50249557, CCG-37862, NCGC00014352, NCI136476, ZINC95616591, GANT61(NSC 136476), AKOS024457467, CS-1528, SB19316, KS-0000183A, NCGC00014352-02, NCGC00014352-03, NCGC00097461-01, AK175836, BC600494, HY-13901, RT-013080, FT-0715623, S8075, A13252, W-5584, BRD-K09485525-001-02-1, (2,2'-[[dihydro-2-(4-pyridinyl)-1,3(2h,4h)-pyrimidinediyl]bis(methylene)]bis(N,N-dimethylbenzenamine)), 2,2''-(2-(pyridin-4-yl)dihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene)bis(N,N-dimethylaniline), 2,2'-(2-(Pyridin-4-yl)-dihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene)bis(N,N-dimethylbenzenamine), 2,2'-(2-(pyridin-4-yl)dihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene)bis(N,N-dimethylaniline), 2,2'-[[Dihydro-2-(4-pyridinyl)-1,3(2H,4H)-pyrimidinediyl]bis(methylene)]bis[N,N-dimethylbenzenamine, 2-((3-(2-(dimethylamino)benzyl)-2-(4-pyridinyl)tetrahydro-1(2H)-pyrimidinyl)methyl)-N,N-dimethylaniline, 2-((3-(2-(dimethylamino)benzyl)-2-(pyridin-4-yl)-tetrahydropyrimidin-1(2H)-yl)methyl)-N,N-dimethylbenzenamine, 2-({3-[2-(dimethylamino)benzyl]-2-(pyridin-4-yl)tetrahydropyrimidin-1(2H)-yl}methyl)-N,N-dimethylaniline, 2-[[3-[[2-(dimethylamino)phenyl]methyl]-2-(4-pyridyl)hexahydropyrimidin-1-yl]methyl]-N,N-dimethyl-aniline, CID421610, GANT61, 98% - 10MG 10mg, A1615, C551027,

Complexity	508
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	429.289g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	429.612g/mol
Monoisotopic Mass	429.289g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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