Actinomine
Basic information
- CAS
23604-87-7- Standard SMILES
CCN(CC)CCNC(=O)c1c2nc3c(C(=O)NCCN(CC)CC)ccc(C)c3oc-2c(C)c(=O)c1N- InChIKey
KELVHZGFGBRPMQ-UHFFFAOYSA-N- Molecular formula
- C28H40N6O4
- Average molar mass
- 524.7 g/mol
- Monoisotopic mass
- 524.31110378
Overview
contains phenoxazone ring system of actinomycin, but bulky peptide rings are replaced with relatively small N,N-diethyl-ethylenediamine side chains; structure
Names & identifiers
- Preferred name
- Actinomine
- IUPAC
- 2-amino-1-N,9-N-bis[2-(diethylamino)ethyl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
- English name
- actinomine
- Molecular formula
- C28H40N6O4
- Molecular weight
- 524.66
Names & synonyms
ActinomineActinomin23604-87-77B9S870QI6NSC-124223DTXSID601782592-AMINO-N1,N9-BIS(2-(DIETHYLAMINO)ETHYL)-4,6-DIMETHYL-3-OXO-3H-PHENOXAZINE-1,9-DICARBOXAMIDERefChem:109520DTXCID40100750NSC1242233H-Phenoxazine-1,9-dicarboxamide, 2-amino-N,N'-bis(2-(diethylamino)ethyl)-4,6-dimethyl-3-oxo-NSC 124223
Show more names
3H-Phenoxazine-1,9-dicarboxamide, 2-amino-N1,N9-bis[2-(diethylamino)ethyl]-4,6-dimethyl-3-oxo-
2-amino-n,n'-bis[2-(diethylamino)ethyl]-4,6-dimethyl-3-oxo-3h-phenoxazine-1,9-dicarboxamideUNII-7B9S870QI6SCHEMBL304375382-amino-N1,N9-bis(2-diethylaminoethyl)-4,6-dimethyl-3-oxo-phenoxazine-1,9-dicarboxamide3H-Phenoxazine-1, 2-amino-N,N'-bis[2-(diethylamino)ethyl]-4,6-dimethyl-3-oxo-2-Amino-N~1~,N~9~-bis[2-(diethylamino)ethyl]-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide3H-PHENOXAZINE-1,9-DICARBOXAMIDE, 2-AMINO-N1,N9-BIS(2-(DIETHYLAMINO)ETHYL)-4,6-DIMETHYL-3-OXO-
Database identifiers
- CAS
23604-87-7- PubChem CID
- 72637
- DTXSID
DTXSID60178259
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 995
Physicochemical properties
- Boiling point
- 662.1 · 662.1±55.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.20(Predicted)
- FDA UNII
- 7 B9S870QI6 · 7B9S870QI6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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