AG000M0M

124436-59-5 | Benzoic acid, 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-, ethyl ester

AG000M0M

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CAS Number	124436-59-5
Catalog Number	AG000M0M(AGN-PC-0PHTRT)
Chemical Name	Benzoic acid, 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-, ethyl ester
IUPAC Name	ethyl 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoate
InChI	InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3
InChI Key	KCHIOGFOPPOUJC-UHFFFAOYSA-N
MDL Number	MFCD00866965
Molecular Formula	C21H27N3O3
Molecular Weight	369.4574
SMILES	O=C(OCC)C1=CC=C(OCCC2CCN(C3=NN=C(C)C=C3)CC2)C=C1
UNII	BML697718K
Synonyms	ethyl 4-(2-(1-(6-methyl-3-pyridazinyl)-4-piperidinyl)ethoxy)benzoate, pirodavir, R 77975, R-77975, R77975, Pirodavir, 124436-59-5, UNII-BML697718K, ethyl 4-(2-(1-(6-methylpyridazin-3-yl)piperidin-4-yl)ethoxy)benzoate, R77975, R 77975, R-77975, CHEMBL298019, (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, BML697718K, Ethyl p-(2-(1-(6-methyl-3-pyridazinyl)-4-piperidyl)ethoxy)benzoate, Benzoic acid,4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-, ethyl ester, Pirodavirum, ethyl 4-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]benzoate, ethyl 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]-ethoxy]benzoate, Benzoic acid, 4-(2-(1-(6-methyl-3-pyridazinyl)-4-piperidinyl)ethoxy)-, ethyl ester, Pirodavirum [INN-Latin], Pirodavir [USAN:INN:BAN], ethyl 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoate, ethyl 4-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}benzoate, Benzoic acid, 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-, ethyl ester, J77, ACMC-20bodg, Pirodavir (USAN/INN), AC1L2FZH, Pirodavir (R 77975), SCHEMBL146440, AC1Q64X2, Pirodavir, >=98% (HPLC), CTK4B3896, KS-00000XMJ, EX-A218, KCHIOGFOPPOUJC-UHFFFAOYSA-N, ZINC538202, AN-451, BDBM50087765, MFCD00866965, AKOS025117571, CS-1348, DB08012, NCGC00378843-02, BC600379, DA-46799, HY-13784, QC-10231, SC-74202, AB0032314, FT-0722772, X5608, A13207, D05506, S-7690, 23408-EP2314582A1, J-005079, Ethyl 4-(2-(1-(6-methylpyridazin-3- yl)piperidin-4-yl)ethoxy)benzoate, ethyl 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy ]benzoate, ethyl 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]benzoate, ethyl p-(2-(1-(6-methyl-3-pyridazinyl)-4-piperidyl)ethoxy) benzoate, 4-{2-[1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl]-ethoxy}-benzoic acid ethyl ester, 4-{2-[1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl]-ethoxy}-benzoic acid ethyl ester (Pirodavir), 4-{2-[1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl]-ethoxy}-benzoic acid ethyl ester(Pirodavir), Pirodavir4-{2-[1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl]-ethoxy}-benzoic acid ethyl ester, Pirodavir < Rec INN, D02GVH, Pirodavir [USAN:BAN:INN], C21H27N3O3, CID71345, AR-1I9981, C21-H27-N3-O3, Ethyl p-[2-[1-(6-Methylpyridazin-3-yl)piperidin-4-yl]-ethoxy]benzoate, 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]benzoic acid ethyl ester, 1270-98-0, BAN,

Complexity	446
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	369.205g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	369.465g/mol
Monoisotopic Mass	369.205g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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

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