AG007VXT

110078-46-1 | 1-{[4-(1,4,8,11-tetraazacyclotetradecan-1-ylmethyl)phenyl]methyl}-1,4,8,11-tetraazacyclotetradecane

AG007VXT

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CAS Number	110078-46-1
Catalog Number	AG007VXT(AGN-PC-0P0653)
Chemical Name	1-{[4-(1,4,8,11-tetraazacyclotetradecan-1-ylmethyl)phenyl]methyl}-1,4,8,11-tetraazacyclotetradecane
IUPAC Name	1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
InChI	InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
InChI Key	YIQPUIGJQJDJOS-UHFFFAOYSA-N
MDL Number	MFCD05662218
Molecular Formula	C28H54N8
Molecular Weight	502.7820
SMILES	N1(CC2=CC=C(CN3CCNCCCNCCNCCC3)C=C2)CCNCCCNCCNCCC1
UNII	S915P5499N
Synonyms	1,1'-(1,4-phenylenebis(methylene))bis(1,4,8,11-tetraazacyclotetradecane)octahydrochloride dihydrate, 1,1'-(1,4-phenylenebis-(methylene))-bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride dihydrate, AMD 3100, AMD 3329, AMD-3100, AMD-3329, AMD3100, bicyclam, JM 3100, JM3100, mezobil, mozobil, plerixafor, plerixafor hydrochloride, plerixafor octahydrochloride, RPA bicyclam, Plerixafor, 110078-46-1, Mozobil, AMD3100, 1,4-Bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene, bicyclam JM-2987, plerixafor (amd3100), Amd 3100, AMD-3100, 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane, JM 3100, UNII-S915P5499N, JM-3100, CHEMBL18442, JM3100, 1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane, S915P5499N, SID791, 1,1'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane], AMD3100 octahydrochloride, 1-{[4-(1,4,8,11-tetraazacyclotetradecan-1-ylmethyl)phenyl]methyl}-1,4,8,11-tetraazacyclotetradecane, Mozobil (TN), SDZ SID 791, Plerixafor [USAN:INN:BAN], GNA & AMD-3100, HHA & AMD-3100, JKL 169, JM 2987, Plerixafor(AMD3100), AC1L22ET, Plerixafor-d4 (deuterated), SCHEMBL19038, GTPL844, Plerixafor (JAN/USAN/INN), CTK8C4952, KS-00000OBY, AOB5591, CHEBI:125354, YIQPUIGJQJDJOS-UHFFFAOYSA-N, BCPP000104, BCP02337, C28H54N8, EX-A1762, AN-436, ANW-73610, BDBM50035696, MFCD05662218, s8030, ZINC22443609, 1,1'-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}, AKOS005266706, CS-0451, DB06809, JM 3100, AMD3100, RL00426, NCGC00165722-01, NCGC00165722-02, 1,1'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] & Galanthus nivalis agglutinin (GNA), 4CA-1029, AC-26837, AJ-81365, AK-41732, AS-42504, BC623053, HY-10046, SC-21932, AB0009909, AB1008451, LS-187299, ST2414835, TC-162355, FT-0660392, A25446, D08971, S-7677, AB01566900_01, 078P461, A809618, L000104, SR-01000941593, I14-9461, J-503718, SR-01000941593-1, 11''''-xylyl bis-1,4,8,11-tetraazacyclotetradecane, BRD-K33240821-367-01-8, Z2196779619, 1,1''''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}, 1,1'[1,4-phenylene-bis-(methylene)]-bis-1,4,8,11-tetraazacyclotetradecane, 1,1'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] & Hippeastrum hybrid agglutinin( HHA), 1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane, 1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O), 1-({4-[(1,4,8,11-tetraazacyclotetradecan-1-yl)methyl]phenyl}methyl)-1,4,8,11-tetraazacyclotetradecane, 11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester, Bicyclam, Plerixafor hcl, Plerixafor 8HCl, Plerixafor [USAN], Plerixafor hydrochloride, Plerixafor (INN/USAN), D0L5RW, Plerixafor Octahydrochloride, Sid 791, cc-304, SDZ-SID-791, C28H54N8.8ClH, CHEMBL2311089, UNII-OD49913540, C28-H54-N8.8Cl-H, CID65015, 155148-31-5, ACN-040171, Plerixafor, 99% - 100MG 100mg, A13074, 1,1'-[1,4-Phenylenebisnu(methylene)]bis-1,4,8,11-tetraazacyclotetradecane, 1,1'-(1,4-Phenylenebis(methylene))bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride, 1,4,8,11-Tetraazacyclotetradecane, 1,1'-(1,4-phenylenebis(methylene))bis-, 1,1'-(1,4-Phenylenebis-(methylene))-bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride dihydrate, 1,1'-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] & Hippeastrum hybrid agglutinin(HHA), 1246819-87-3,

Complexity	456
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	502.447g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	502.796g/mol
Monoisotopic Mass	502.447g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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