AG009CI8

130964-39-5 | 5-Isoquinolinesulfonamide,N-[2-[[3-(4-bromophenyl)-2-propen-1-yl]amino]ethyl]-, hydrochloride (1:2)

AG009CI8

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CAS Number	130964-39-5
Catalog Number	AG009CI8(AGN-PC-0PJDKG)
Chemical Name	5-Isoquinolinesulfonamide,N-[2-[[3-(4-bromophenyl)-2-propen-1-yl]amino]ethyl]-, hydrochloride (1:2)
IUPAC Name	N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide;dihydrochloride
InChI	InChI=1S/C20H20BrN3O2S.2ClH/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20;;/h1-10,12,15,22,24H,11,13-14H2;2*1H/b3-2+;;
InChI Key	GELOGQJVGPIKAM-WTVBWJGASA-N
MDL Number	MFCD00214120
Molecular Formula	C20H22BrCl2N3O2S
Molecular Weight	519.2826
SMILES	Cl.Cl.BrC1=CC=C(C=CCNCCNS(=O)(=O)C=2C=3C=CN=CC3C=CC2)C=C1
Synonyms	H-89 DIHYDROCHLORIDE, 127243-85-0, H 89 2HCl, 130964-39-5, H-89 (dihydrochloride), N-(2-((3-(4-Bromophenyl)allyl)amino)ethyl)isoquinoline-5-sulfonamide dihydrochloride, H-89, Dihydrochloride, H 89 dihydrochloride, InSolution™ H-89, Dihydrochloride, Protein kinase inhibitor H-89 dihydrochloride, N-[2-((p-Bromocinnamyl)amino)ethyl]-5-isoquinolinesulfonamide, 2HCl, N-[2-(p-Bromocinnamylamino)ethyl]-5-isoquinolinesulfonamide dihydrochloride, H-89 2HCL, H-89 Chloride, H-89-dihydrochloride, H-89.Dihydrochloride, AC1NWBIF, EU-0100140, Amyloid b-Protein (1-28), C20H20BrN3O2S.2ClH, BIH127, SCHEMBL1048972, SCHEMBL1048974, CHEMBL1315166, ZX-AFC000006, HMS3229M18, BCP15626, N-(2-{[3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide dihydrochloride, BS0300, HY-15979A, MFCD00214120, s1582, AKOS015908937, ACN-043415, CCG-206850, CS-3387, NCGC00093630-01, AK160359, AX8132511, ST24048280, SW219404-1, Y0224, B 1427, SR-01000075706, J-005475, SR-01000075706-1, I14-34485, N-[2-(p-Bromocinnamylamino)ethyl]-5-isoquinolinesulfonamide dihydrobromide, (E)-N-(2-((3-(4-bromophenyl)allyl)amino)ethyl)isoquinoline-5-sulfonamide dihydrochloride, N-[2-[[3-(4-Bromophenyl)-2-propenyl]amino]-5-isoqu inolinesulfonamide dihydrochloride, N-[2-[[3-(4-Bromophenyl)-2-propenyl]amino]ethyl]-5-isoquinolinesulfonamide dihydrochloride, N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide dihydrochloride, h-89, 5-Isoquinolinesulfonamide, H-89 dihydrochloride hydrate, C20H20BrN3O2S, UNII-M876330O56, C20-H20-Br-N3-O2-S, H 89, CID5702541, B2190, 130964-39-5 (2HCl), N-(2-(4-Bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide, (E)-N-(2-(4-bromocinnamylamino)ethyl)isoquinoline-5-sulfonamide dihydrochloride, N-(2-((3-(4-Bromophenyl)-2-propenyl)amino)ehtyl)-5-isoquinolinesulfonamide dihydrochloride,

Complexity	570
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	516.999g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	519.279g/mol
Monoisotopic Mass	516.999g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	79.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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