2’-Deschloro-2’-hydroxy Dasatinib - CAS 1159977-25-9
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Catalog Number: R011041
CAS Number: 1159977-25-9
PubChem Substance ID:355102204
Molecular Formula: C22H27N7O3S
Molecular Weight:469.564
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | N-[2-Hydroxy-6-methylphenyl]-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide; 2-[[6-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-N-(2-hydroxy-6-methylphenyl)-5-thiazolecarboxamide; |
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Property
Molecular Formula: | C22H27N7O3S |
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Molecular Weight | 469.564 |
Purity | ≥95% |
Storage | -20°C |
Computed Descriptor
IUPAC Name | 2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-hydroxy-6-methylphenyl)-1,3-thiazole-5-carboxamide |
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InChI | InChI=1S/C22H27N7O3S/c1-14-4-3-5-16(31)20(14)27-21(32)17-13-23-22(33-17)26-18-12-19(25-15(2)24-18)29-8-6-28(7-9-29)10-11-30/h3-5,12-13,30-31H,6-11H2,1-2H3,(H,27,32)(H,23,24,25,26) |
InChIKey | QSYUTCLLUVARSF-UHFFFAOYSA-N |
SMILES | CC1=C(C(=CC=C1)O)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C |