Primary record
IMG-7289 ditosylate
- CAS
- 1990504-72-7
- PubChem CID
- 131801105
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCN(CC1)C(=O)[C@H](CCCN[C@@H]2C[C@H]2C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)N5C=CN=N5
- Molecular Formula
- C42H50FN7O8S2
- Molecular Weight
- 864.035
- Exact Mass
- 863.3146
- InChI
- InChI=1S/C28H34FN7O2.2C7H8O3S/c1-34-15-17-35(18-16-34)28(38)25(3-2-12-30-26-19-24(26)20-4-8-22(29)9-5-20)32-27(37)21-6-10-23(11-7-21)36-14-13-31-33-36;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-11,13-14,24-26,30H,2-3,12,15-19H2,1H3,(H,32,37);2*2-5H,1H3,(H,8,9,10)/t24-,25-,26+;;/m0../s1
- InChIKey
- WLRWBXFBIJMKHG-DVNXTAPYSA-N
- LogP
- 4.6881
- TPSA
- 204.13
Names and synonyms
- IMG-7289 ditosylate
- Bomedemstat tosylate
- BOMEDEMSTAT DITOSYLATE
- Bomedemstat (ditosylate)
- 2PYF2U9JNF
- UNII-2PYF2U9JNF
- Bomedemstat tosylate [USAN]
- IMG-241 bis-tosylate salt
- RefChem:120937
- 1990504-72-7
- Bomedemstat tosylate (USAN)
- Bomedemstat ditosylate (IMG 7289)
- orb1739472
- CHEMBL5095405
- SCHEMBL29354417
- GLXC-20552
- EX-A11097
- HY-109169A
- DA-51343
- MS-31597
- CS-0168301
- D12264
- H38893
- A949419
- N-((2S)-5-(((1R,2S)-2-(4-Fluorophenyl)cyclopropyl)amino)-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl)-4-(1H-1,2,3-triazol-1-yl)benzamide, bis-tosylate salt
- Benzamide, N-((1S)-4-(((1R,2S)-2-(4-fluorophenyl)cyclopropyl)amino)-1-((4-methyl-1-piperazinyl)carbonyl)butyl)-4-(1H-1,2,3-triazol-1-yl)-, 4-methylbenzenesulfonate (1:2)
- N-((S)-5-(((1R,2S)-2-(4-Fluorophenyl)cyclopropyl)amino)-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl)-4-(1H-1,2,3-triazol-1-yl)benzamide bis(4-methylbenzenesulfonate)
- N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(triazol-1-yl)benzamide;4-methylbenzenesulfonic acid
- N-[(2S)-5-{[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino}-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(1H-1,2,3-triazol-1-yl)benzamide, bis-tosylate salt