AG001L8M

148849-67-6 | 2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, hydrochloride (1:1)

AG001L8M

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CAS Number	148849-67-6
Catalog Number	AG001L8M(AGN-PC-0Q2FTE)
Chemical Name	2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, hydrochloride (1:1)
IUPAC Name	3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
InChI	InChI=1S/C27H36N2O5.ClH/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30;/h12-14,16,21H,6-11,15,17H2,1-5H3;1H/t21-;/m1./s1
InChI Key	HLUKNZUABFFNQS-ZMBIFBSDSA-N
MDL Number	MFCD00929899
Molecular Formula	C27H37ClN2O5
Molecular Weight	505.0461
SMILES	Cl[H].COC1=CC2=C(CC(=O)N(CCCN(C)C[C@H]3CC4=CC(OC)=C(OC)C=C34)CC2)C=C1OC
UNII	TP19837BZK
Synonyms	7,8-dimethoxy-3-(3-(((4,5-dimethoxybenzocyclobutan-1-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzazepin-2-one, Corlanor, ivabradine, S 16257, S 16257 2, S 16257-2, S 162572, S 16260 2, S 16260-2, S 162602, S-16257, S-16257-2, S-16260-2, S16257, S162572, S162602, Ivabradine hydrochloride, 148849-67-6, Ivabradine HCl, Procoralan, Ivabradine (hydrochloride), UNII-TP19837BZK, Corlanor, Corlentor, TP19837BZK, CHEBI:85969, (S)-3-(3-(((3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl)(methyl)amino)propyl)-7,8-dimethoxy-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one hydrochloride, NCGC00181343-01, S-16257, (S)-3-(3-(((3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl)(methyl)amino)propyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-benzo[d]azepin-2-one hydrochloride, 2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, hydrochloride (1:1), 3-[3-[[[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one Hydrochloride, Ivabradine HCl (Procoralan), s16257, Coralan, IvabradineHCl, S-16260-2, Corlentor (TN), Corlanor (TN), AK-46411, AC1MIILZ, Ivabrandine hydrochloride, ivabradine-hcl-procoralan, ivabradine monohydrochloride, DSSTox_CID_26913, DSSTox_RID_82011, DSSTox_GSID_46913, SCHEMBL23470, C27H37ClN2O5, MLS006010110, Ivabradine hydrochloride (JAN), CHEMBL2145077, DTXSID2046913, Ivabradine hydrochloride [USAN], CTK8E8827, HY-B0162A, AMG-998, AOB4729, HLUKNZUABFFNQS-ZMBIFBSDSA-N, 3-[3-[[(8S)-3,4-Dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride, BCP05218, KS-000004OB, Tox21_112802, AC-543, AN-618, CI0043, MFCD00929899, s2086, AKOS015849582, AKOS016002249, API0000615, BCP9000798, CS-1994, GS-3584, RL01883, RTC-070922, SB12485, (7,8-Dimethoxy 3-(3-(((1S)-(4,5-dimethoxybenzocyclobutan-1-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzazepin-2-one hydrochloride, BC226246, LS-28024, SC-20079, SMR004701246, Ivabradine hydrochloride, >=98% (HPLC), AB0011288, AX8135490, TC-070922, AM20090729, B1360, CAS-148849-67-6, FT-0659345, I0847, ST24036090, D08095, 974I008, J-008523, J-521616, 2H-3-Benzazepin-2-one, 3-(3-((((7S)-3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, monohydrochloride, 2H-3-Benzazepin-2-one, 3-(3-(((3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, monohydrochloride, (S)-, 3-[3-({[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino)propyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one hydrochloride, 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride, 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride, 3-[3-[[(8S)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride3-[3-[[(8S)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,, 3-{3-[{[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride, 3-{3-[{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one--hydrogen chloride (1/1), N-{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}-3-(7,8-dimethoxy-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-N-methylpropan-1-aminium chloride, Ivabradine, Ivabradinehydrochloride, Ivabradine Hydrochloride;, C27H36N2O5.ClH, C27-H36-N2-O5.Cl-H, ACN-028896, CID3045381, S 16257, S 16257-2, S-16257-2, Ivabradine hydrochloride/S-16260-2 (R-isomer), S-16257-2, S-16257, Procoralan, (S)-3-(3-(((4,5-Dimethoxy-1,2-dihydrocyclobutabenzen-1-yl)methyl)(methyl)amino)propyl)-7,8-dimethoxy-4,5-dihydro-1H-benzo[d]azepin-2(3H)-one hydrochloride, 155974-00-8,

Complexity	663
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	504.239g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	505.052g/mol
Monoisotopic Mass	504.239g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	60.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H400
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

Lot Number