Chloroactinomycin D
2-chloro-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
Also Known As: Chloroactinomycin D|ACTINOMYCIN D, CHLORO|Actinomycin D, 2-chloro-2-deamino-|Actinomycin D, 2-deamino-2-chloro-|2-chloro-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
| Molecular Formula | C62H84ClN11O16 |
|---|---|
| Molecular Weight | 1273.5786 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 333.96 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 1273.5786 |
| Heavy Atoms | 90 |
| Complexity | 3421.9 |
Chemical Identifiers
| CAS Number | 21392-13-2 |
|---|---|
| SMILES | CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)Cl)C |
Product Overview
Chloroactinomycin D (CAS 21392-13-2), with molecular formula C62H84ClN11O16 and molecular weight 1273.5786 g/mol. IUPAC: 2-chloro-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide.
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