Name: YM155
SKU: 781661-94-7

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Basic Information

Molecular Structure:
CAS No.:	781661-94-7
Name:	YM155

Formula:	C₂₀H₁₉N₄O₃·Br
Molecular Weight:	443.3
Synonyms:	4,9-Dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-1H-naphth[2,3-d]imidazolium bromide;1-(2-Methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-ium bromide;1H-Naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazinylmethyl)-, bromide;Sepantronium bromide;
PSA:	77.96000
LogP:	-1.65190

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Specification

The YM 155, with the CAS registry number 781661-94-7, is also known as 1H-Naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazinylmethyl)-, bromide. This chemical's molecular formula is C₂₀H₁₉N₄O₃·Br and molecular weight is 443.30. What's more, its systematic name is 1-(2-Methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-ium bromide. It is a survivin suppressant with antineoplastic activity.

Physical properties of YM 155 are: (1)#H bond acceptors: 7; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 77.96 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].O=C1c3c(C(=O)c2c1cccc2)[n+](c(n3CCOC)C)Cc4nccnc4
(2)Std. InChI: InChI=1S/C20H19N4O3.BrH/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25;/h3-8,11H,9-10,12H2,1-2H3;1H/q+1;/p-1
(3)Std. InChIKey: QBIYUDDJPRGKNJ-UHFFFAOYSA-M