AG002VNX

2854-32-2 | Ethanone, 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-(4-morpholinyl)-

AG002VNX

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CAS Number	2854-32-2
Catalog Number	AG002VNX(AGN-PC-0R4775)
Chemical Name	Ethanone, 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-(4-morpholinyl)-
IUPAC Name	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-morpholin-4-ylethanone
InChI	InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-9-11-30-12-10-25)20-13-18(29-2)7-8-21(20)26(15)23(28)16-3-5-17(24)6-4-16/h3-8,13H,9-12,14H2,1-2H3
InChI Key	BJSDNVVWJYDOLK-UHFFFAOYSA-N
MDL Number	MFCD01317813
Molecular Formula	C23H23ClN2O4
Molecular Weight	426.8927
SMILES	CC(N1C(C2=CC=C(Cl)C=C2)=O)=C(CC(N3CCOCC3)=O)C4=C1C=CC(OC)=C4
Synonyms	BML 190, BML-190, BML190, indomethacin morpholinylamide, BML-190, 2854-32-2, Indomethacin morpholinylamide, 2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-1-morpholinoethanone, BML 190, IMMA, CHEMBL72631, SR-01000075946, Bio2_000763, Tocris-1383, Lopac-I-151, AC1L1DMH, AC1Q5KCJ, Indomethacin morpholinamide, CBiol_001726, Lopac0_000685, BSPBio_001563, KBioGR_000283, KBioSS_000283, BML2-C04, SCHEMBL8314320, CHEBI:93649, CTK4G1689, KBio2_000283, KBio2_002851, KBio2_005419, KBio3_000565, KBio3_000566, AOB2533, BJSDNVVWJYDOLK-UHFFFAOYSA-N, BCPP000330, Bio1_000012, Bio1_000501, Bio1_000990, Bio2_000283, HMS1361O05, HMS1791O05, HMS1989O05, HMS3267D16, HMS3402O05, HMS3649M07, HMS3651P17, HMS3676K16, BCP02700, BML-190/, Indomethacin morpholinylamide, solid, ZINC2244161, ABP000803, ANW-53696, BDBM50090806, s2854, AKOS001233928, BCP9000422, CCG-204770, CS-0853, SB19547, IDI1_034033, Indomethacin morpholinylamide (BML190), NCGC00015540-01, NCGC00015540-02, NCGC00015540-03, NCGC00015540-04, NCGC00015540-05, NCGC00015540-06, NCGC00025136-01, NCGC00025136-02, NCGC00025136-03, NCGC00025136-04, NCGC00025136-05, 4CA-0289, AJ-34438, HY-15420, QC-10227, AB0089786, ST2403783, TC-142441, EU-0100685, I-151, SW219196-1, A11938, S-7737, J-017120, SR-01000075946-1, SR-01000075946-3, SR-01000075946-5, BRD-K94379058-001-02-7, BRD-K94379058-001-03-5, N-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetyl]morpholine, 1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-[(morpholinocarbonyl)methyl]-indole, 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-1-morpholinoethan-1-one, 2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-morpholin-4-yl-ethanone, 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-1-morpholin-4-ylethanone, BML 190;2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-1-morpholinoethanone, BML 190?2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-1-morpholinoethanone, Ethanone, 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-(4-morpholinyl)-, Ethanone,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-(4-morpholinyl)-, BML-190|Indomethacin morpholinylamide|IMMA|1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1-[2-(4-morpholinyl)-2-oxoethyl]-1H-indole, C23H23ClN2O4, BML190, CID2415, C23-H23-Cl-N2-O4, AR-1C5951, BRN 1230853, B1425, C471852, 4-((2-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)morpholine, Morpholine, 4-((2-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)-, 1H-Indole, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1-(2-(4-morpholinyl)-2-oxoethyl)-, 29426-52-6,

Complexity	618
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	426.135g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	426.897g/mol
Monoisotopic Mass	426.135g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	60.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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