Plerixafor
1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
| Molecular Formula | C28H54N8 |
|---|---|
| Molecular Weight | 502.8 g/mol |
| Topological Polar Surface Area | 78.7 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.44714 |
| Heavy Atoms | 36 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 110078-46-1 |
|---|---|
| SMILES | C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3 |
| InChIKey | YIQPUIGJQJDJOS-UHFFFAOYSA-N |
📖 Product Overview
Plerixafor (CAS: 110078-46-1) is a chemical compound with molecular formula C28H54N8 and molecular weight 502.8 g/mol. Its IUPAC systematic name is 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane.
YIQPUIGJQJDJOS-UHFFFAOYSA-N.
SMILES: C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.
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