Copanlisib impurity B - CAS 2132943-81-6
Catalog: |
BB055044 |
Product Name: |
Copanlisib impurity B |
CAS: |
2132943-81-6 |
Synonyms: |
2-Amino-N-[2,3-dihydro-8-[3-[(2-hydroxyethyl)amino]propoxy]-7-methoxyimidazo[1,2-c]quinazolin-5-yl]-5-pyrimidinecarboxamide |
IUPAC Name: | 2-amino-N-[8-[3-(2-hydroxyethylamino)propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide |
Molecular Weight: | 454.49 |
Molecular Formula: | C21H26N8O4 |
Canonical SMILES: | COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCNCCO |
InChI: | InChI=1S/C21H26N8O4/c1-32-17-15(33-10-2-5-23-7-9-30)4-3-14-16(17)27-21(29-8-6-24-18(14)29)28-19(31)13-11-25-20(22)26-12-13/h3-4,11-12,23-24,30H,2,5-10H2,1H3,(H2,22,25,26) |
InChI Key: | AQZACJLXHOTEHC-UHFFFAOYSA-N |
Complexity: | 902 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 454.20770134 |
Formal Charge: | 0 |
Heavy Atom Count: | 33 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 454.20770134 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 160Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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