Product Information
Chemical Formula: | C23H26IN7O2S |
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Molecular Weight: | 591.47 |
Synonyms: | BX795; N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide; BX 795; N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyriMidinyl]amino]phenyl]-1-pyrrolidin; BX795/BX-795; N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide BX-795; BX-795 hydrochloride; N-[3-[[5-iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-Pyrrolidinecarboxamide hydrochloride; BX795N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide |
MDL No.: | MFCD12546134 |
EINECS / EC No.: | N/A |
Pubchem CID: | 10077147 |
IUPAC Name: | N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide |
Standard InchI: | InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30) |
InchI Key: | VAVXGGRQQJZYBL-UHFFFAOYSA-N |
SMILES: | C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I |
Appearance: | white to light brown |
Melting Point: | N/A |
Boiling Point: | N/A |
Density (Theoretical): | 1.644 |
Solubility: | DMSO: soluble15mg/mL, clear |
Safety Information
Signal Word: | Warning |
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Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305+P351+P338 |
Transportation Information: | N/A |
GHS Pictograms: |