AG00117R

132810-10-7 | Cycloocta[b]pyridine, 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-

AG00117R

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CAS Number	132810-10-7
Catalog Number	AG00117R(AGN-PC-0PJU57)
Chemical Name	Cycloocta[b]pyridine, 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-
IUPAC Name	2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
InChI	InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
InChI Key	XVGOZDAJGBALKS-UHFFFAOYSA-N
MDL Number	MFCD00893838
Molecular Formula	C23H30FN3
Molecular Weight	367.5028
SMILES	C(C)N1CCN(CC1)C1=CC(=C2C(=N1)CCCCCC2)C2=CC=C(C=C2)F
UNII	AQ316B4F8C
Synonyms	2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta(b)pyridine, AD 5423, AD-5423, blonanserin, lonasen, Blonanserin, 132810-10-7, Lonasen, AD-5423, AD 5423, Blonanserin [INN], 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine, UNII-AQ316B4F8C, Blonanserin (Lonasen), 2-(4-Ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta(b)pyridine, AQ316B4F8C, CHEMBL178803, NCGC00183858-01, 2-(4-Ethyl-1-piperazinyl)-4-(p-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta(b)pyridine, Cycloocta(b)pyridine, 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-, 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine, Cycloocta(b)pyridine, 2-(4-ethyl-1-piperazinyl)-4-(1-fluorophenyl)-5,6,7,8,9,10-hexahydro-, CYCLOOCTA[B]PYRIDINE, 2-(4-ETHYL-1-PIPERAZINYL)-4-(4-FLUOROPHENYL)-5,6,7,8,9,10-HEXAHYDRO-, Blonanserin (JAN/INN), C23H30FN3, blonanserin-lonasen, Blonanserin(AD-5423), AC1L2OS5, DSSTox_CID_28716, DSSTox_RID_82985, DSSTox_GSID_48790, cc-715, SCHEMBL119669, GTPL7670, DTXSID7048790, Blonanserin, >=98% (HPLC), CHEBI:31296, EX-A663, ZINC597434, BCP04236, Tox21_113267, AD5423, BDBM50160807, CB0189, MFCD00893838, PDSP1_000720, PDSP2_000710, s2112, AKOS005145823, AC-1599, API0007646, CS-2470, DB09223, SB17396, 2-(4-Ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocyclooctapyridine, AN-14769, AS-11421, BC226159, HY-13575, LS-57714, SC-19952, AB0009895, AB1008437, A8384, B4565, CAS-132810-10-7, FT-0663415, A11824, AD-5423;AD5423;AD 5423, D01176, AB01565798_02, 810B107, L001392, P111009, SR-01000945256, I14-8575, SR-01000945256-1, 2-(4-Ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-cycloocta[b]pyridine, 4-(4-Fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-5,6,7,8,9,10-hexahydro-cycloocta[b]pyridine, Cycloocta[b]pyridine,2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-, null, D08GJH, C23-H30-F-N3, CID125564, ACN-040067, A2809, C079310, Blonanserin, 99.5%, a D2/5-HT2 receptor antagonist - 1G 1g,

Complexity	443
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	367.242g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	367.512g/mol
Monoisotopic Mass	367.242g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	19.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code

Certificate of Analysis

Lot Number