Chloroactinomycin D
Basic information
- CAS
21392-13-2- 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(Cl)c1=O- InChIKey
MXMWTOJMVNSFGJ-UHFFFAOYSA-N- Molecular formula
- C62H84ClN11O16
- Average molar mass
- 1,274.8 g/mol
- Monoisotopic mass
- 1,273.5786033
Names & identifiers
- Preferred name
- Chloroactinomycin D
- 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
Names & synonyms
Chloroactinomycin DActinomycin D, 2-chloro-2-deamino-Actinomycin D, 2-deamino-2-chloro-21392-13-2ACTINOMYCIN D, CHLORONSC268948NSC 268948NSC-268948WLN: T C666 BO EV INJ D1 FG N1 GVM- OT5-16- AN FVN IVN LVO PVM SVTJ G1 J1 KY1&1 N1 RY1&1& KVM- OT5-16- AN FVN IVN LVO PVM SVTJ G1 J1 KY1&1 N1 RY1&1
Database identifiers
- CAS
21392-13-2- PubChem CID
- 99925
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 330 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 8
- Heavy atoms
- 90
- Formal charge
- 0
- Complexity
- 3,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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