AG0019A0

138489-18-6 | Carbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl ester, methanesulfonate (1:1)

AG0019A0

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CAS Number	138489-18-6
Catalog Number	AG0019A0(AGN-PC-00CZ01)
Chemical Name	Carbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl ester, methanesulfonate (1:1)
IUPAC Name	methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate
InChI	InChI=1S/C25H23N5O2S.CH4O3S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20;1-5(2,3)4/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32);1H3,(H,2,3,4)
InChI Key	SAWVGDJBSPLRRB-UHFFFAOYSA-N
MDL Number	MFCD03788207
Molecular Formula	C26H27N5O5S2
Molecular Weight	553.6531
SMILES	O=C1NC(=O)C(C2=CN(C=3C=CC=CC23)CCCSC(=N)N)=C1C4=CN(C=5C=CC=CC45)C.O=S(=O)(O)C
Synonyms	Ro 31 8220, Ro 31-8220, Ro 318220, Ro-31-8220, Ro31-8220, Ro 31-8220 mesylate, 138489-18-6, Ro 31-8220 (mesylate), Bisindolylmaleimide IX mesylate, InSolution™ Ro-31-8220, Bisindolylmaleimide IX, Methanesulfonate, Ro-31-8220, 3-[1-[3-(Amidinothio)propyl-1H-indol-3-yl]-3-(1-methyl-1H-indol-3-yl)maleimide, CHEMBL1591531, SAWVGDJBSPLRRB-UHFFFAOYSA-N, Bisindoylmaleimidine IX, Carbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl ester, methanesulfonate (1:1), BMK1-D9, Ro?31-8220?methanesulfonate, SCHEMBL2491726, EX-A840, Bisindolylmaleimide IX (mesylate), C25H23N5O2S.CH4O3S, ZX-AFC003211, HMS3229N17, HMS3268D19, HMS3648O04, HMS3653M17, HMS3677A13, BCP20982, Ro 31-8220 methanesulfonate salt, 2690AH, IN1117, MFCD03788207, s7207, AKOS024456905, CS-1677, RO 31-8220 METHANESULFONATE, NCGC00092293-01, AK546534, HY-13866, Ro 31-8220 methanesulfonate salt, solid, Ro 31-8220/Ro318220, Bisindolylmaleimide IX methanesulphonate salt, FT-0700446, SW219301-1, EC-000.2436, Bisindolylmaleimide IX (Ro 31-8220 Mesylate), SR-01000946393, SR-01000946393-1, 2-{1-[3-(Amidinothio)propyl]-1H-indol-3-yl}-3-(1-methylindol-3-yl)maleimide methanesulfonate salt, 3-(3-(4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl carbamimidothioate methanesulfonate, 3-[1-[3-(amidinothio)propyl]-3-indolyl]-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione methanesulphonate, 3-[3-[2,5-Dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl carbamimidothioic acid ester mesylate, methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate, bisindolylmaleimide IX, ro 31-8220, 138489-18-6 (mesylate), Ro-318220, Ro31-8220, CID11628205, IUPAC: Insolution™ Ro-31-8220, B2192, A13514, 125314-64-9,

Complexity	937
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	553.145g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	553.652g/mol
Monoisotopic Mass	553.145g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	194A^2
Undefined Atom Stereocenter Count	0
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