AG000JZQ

123040-16-4 | Azasetron (hydrochloride)

AG000JZQ

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CAS Number	123040-16-4
Catalog Number	AG000JZQ(AGN-PC-0PH1F7)
Chemical Name	Azasetron (hydrochloride)
IUPAC Name	N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
InChI	InChI=1S/C17H20ClN3O3.ClH/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1H
InChI Key	DBMKBKPJYAHLQP-UHFFFAOYSA-N
MDL Number	MFCD00209913
Molecular Formula	C17H21Cl2N3O3
Molecular Weight	386.2729
SMILES	O=C(C1=C(C(N2C)=CC(Cl)=C1)OCC2=O)NC3CN4CCC3CC4.[H]Cl
Synonyms	azasetron, azasetron, (+-)-isomer, N-(1-azabicyclo(2.2.2)oct-3-yl)-6-chloro-4-methyl-3-oxo-3,4 -dihydro-2H-1,4-benzoxazine-8-carboxamide hydrochloride, Y 25130, Y-25130, azasetron hydrochloride, 123040-16-4, Azasetron HCl, Serotone, 123040-69-7, Azasetron (hydrochloride), Y-25130 hydrochloride, 141922-90-9, C17H20ClN3O3.HCl, Azasetron hydrochloride [JAN], Y 25130, 123040-93-7, 6-chloro-4-methyl-3-oxo-N-(quinuclidin-3-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxamide hydrochloride, Azasetron hydrochloride (JAN), 2H-1,4-Benzoxazine-8-carboxamide, 3,4-dihydro-N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-4-methyl-3-oxo-, monohydrochloride, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride, N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide hydrochloride, SMR000466285, azasetron-hcl, 6-chloro-4-methyl-3-oxo-N-quinuclidin-3-yl-1,4-benzoxazine-8-carboxamide hydrochloride, Serotone (TN), N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride, Azasetron hydrochlorid, Nazasetron hydrochloride, AC1L3GCQ, NPFAPI-08, (+)-Azasetron hydrochloride, (-)-Azasetron hydrochloride, Azastron Hydrochloride ,(S), MLS000758245, MLS001424223, MLS006011207, SCHEMBL442156, Jsp001546, CHEBI:31246, CTK8E8243, AOB5582, DBMKBKPJYAHLQP-UHFFFAOYSA-N, Y-25130 HCl, BCP12756, HY-B0068, KS-00000IQ2, ABP001086, BN0548, MFCD00209913, RTA-01012, s2106, AKOS005766024, AKOS015914040, AC-6811, AN-9647, API0008826, CCG-101059, CS-2459, NC00309, 123040-95-9, AK-25334, AN-31663, CPD000466285, H652, LS-41695, SAM001247082, SC-26834, ACM1216505586, AB1009466, AX8017832, FT-0602906, FT-0688447, FT-0689462, ST24045987, D01613, 040A164, A805009, SR-01000597808, I06-0644, I06-1330, J-004884, J-004885, J-519607, SR-01000597808-1, I14-43119, (+)-6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide hydrochloride, (-)-6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide hydrochloride, 123040-94-8, 123040-96-0, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, hydrochloride (1:1), 6-chloro-3,4-dihydro-4-methyl-3-oxo-N-(3-quinuclidinyl)-2H-1,4-benzoxazine-8-carboxamide hydrochloride, 6-Chloro-4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-8-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide hydrochloride, N-(1-azabicyclo(2.2.2)oct-3-yl)-6-chloro-4-methyl-3-oxo-3,4 -dihydro-2H-1,4-benzoxazine-8-carboxamide hydrochloride, N-(1-Azabicyclo[2,2,2]oct-3-yl)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide hydrochloride, N-(1-Azabicyclo[2.2.2]oct-3-yl)-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide hydrochloride, N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloranyl-4-methyl-3-oxidanylidene-1,4-benzoxazine-8-carboxamide hydrochloride, N-(1-Azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide hydrochloride, Azasetron, Nazasetron, Azasetron [INN], UNII-2BSS7XL60S, Azasetron [superceded RN], Azasetron-d3 Hydrochloride, D09ZSA, UNII-77HC7URR9Z, 2BSS7XL60S, C17H20ClN3O3.ClH, C17-H20-Cl-N3-O3, CID115000, C17-H20-Cl-N3-O3.Cl-H, ACN-048112, WR85915, Y-25130, (+-)-6-chloro-3,4-dihydro-4-methyl-3-oxo-N-(3-quinuclidinyl)-2H-1,4-benzoxazine-8-carboxamide, 123039-99-6, 477243-03-1, N-1-Azabicyclo[2.2.2]oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxamide,

Complexity	523
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	385.096g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	386.273g/mol
Monoisotopic Mass	385.096g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number