AG004GR6

870070-55-6 | 4-Methoxy-7-morpholino-2-[(4-hydroxy-4-methylpiperidino)carbonylamino]benzothiazole

AG004GR6

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CAS Number	870070-55-6
Catalog Number	AG004GR6(AGN-PC-0V9RY3)
Chemical Name	4-Methoxy-7-morpholino-2-[(4-hydroxy-4-methylpiperidino)carbonylamino]benzothiazole
IUPAC Name	4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide
InChI	InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
InChI Key	XNBRWUQWSKXMPW-UHFFFAOYSA-N
MDL Number	MFCD21642026
Molecular Formula	C19H26N4O4S
Molecular Weight	406.4991
SMILES	COC1=CC=C(N2CCOCC2)C2=C1N=C(NC(=O)N1CCC(C)(O)CC1)S2
UNII	D9K857J81I
Synonyms	SYN115, tozadenant, TOZADENANT, 870070-55-6, SYN-115, SYN115, 4-Hydroxy-N-(4-methoxy-7-morpholinobenzo[d]thiazol-2-yl)-4-methylpiperidine-1-carboxamide, 4-HYDROXY-N-[4-METHOXY-7-(4-MORPHOLINYL)-2-BENZOTHIAZOLYL]-4-METHYL-1-PIPERIDINECARBOXAMIDE, UNII-D9K857J81I, RO-4494351, D9K857J81I, AK103300, Ro-4494351000, Ro-4494351-002, 4-Hydroxy-N-[4-methoxy-7-(4-morpholinyl)-2-benzo-thiazolyl]-4-methyl-1-piperidinecarboxamide, C19H26N4O4S, 4-hydroxy-n-(4-methoxy-7-(4-morpholinyl)-2-benzothiazolyl)-4-methyl-1-piperidinecarboxamide, 4-Hydroxy-N-(4-methoxy-7-morpholinobenzo(d)thiazol-2-yl)-4-methylpiperidine-1-carboxamide, 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide, A2A, Tozadenant [USAN:INN], Tozadenant (USAN), GTPL5611, SCHEMBL1628246, CHEMBL2105747, CTK8C0579, XNBRWUQWSKXMPW-UHFFFAOYSA-N, BCP06963, 3711AC, ANW-64921, BDBM50011294, MFCD21642026, ZINC13986943, AKOS016005201, A2A (3), API0014160, CS-0359, DB12203, PB19761, RL05395, KS-000006M4, NCGC00378653-02, 1-Piperidinecarboxamide, 4-hydroxy-N-(4-methoxy-7-(4-morpholinyl)-2-benzothiazolyl)-4-methyl-, AJ-64560, AS-34303, HY-10995, AB0165784, AX8234839, RO4494351, TC-153666, A11560, C-8875, D10174, RO4494351-000, RO4494351-002, J-515524, 4-hydroxy-4-methyl-piperidine-1-carboxylic acid(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-amide, 4-Hydroxy-N-(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)-4-methyl-piperidine-1-carboxamide, 9XW, Tozadenant [USAN], SYN-115 (Tozadenant), D03OQI, Ro-2, cc-340, CID11618368, A3885, A2a receptor antagonists (Parkinson's disease), Synosia/Roche, ~{N}-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methyl-4-oxidanyl-piperidine-1-carboxamide, Adenosine A2a receptor antagonists (Parkinson's disease), Synosia/Roche, 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-4-methyl-piperidine-1-carboxamide,

Complexity	554
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	406.167g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	406.501g/mol
Monoisotopic Mass	406.167g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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