Basic information
- CAS
70804-00-1- Standard SMILES
Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(NCCCNC2CC(C)(C)N(O)C(C)(C)C2)c1=O- InChIKey
ROVXUEAXFMPDQB-UHFFFAOYSA-N- Molecular formula
- C74H110N14O17
- Average molar mass
- 1,467.7 g/mol
- Monoisotopic mass
- 1,466.8173381
Names & identifiers
- Preferred name
- N-(2,2,6,6-Tetramethyl-1-oxy-4-piperidinyl)actinomycin D
- IUPAC
- 2-[3-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]-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
Names & synonyms
N-(2,2,6,6-Tetramethyl-1-oxy-4-piperidinyl)actinomycin D70804-00-1Actinomycin D, N-(2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)-N-(3-((2,2,6,6-Tetramethyl-1-oxy-4-piperidinyl)amino)propyl)actinomycin DActinomycin D, N-(3-((2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)amino)propyl)-70804-07-8
Database identifiers
- CAS
70804-00-1、70804-07-8- PubChem CID
- 153265
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 377 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 14
- Heavy atoms
- 105
- Formal charge
- 0
- Complexity
- 3,480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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