N-Benzyldaunomycin HCl
Basic information
- CAS
70844-04-1- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](NCc2ccccc2)[C@H](O)[C@H](C)O1.Cl- InChIKey
RKGNDSFRLOMNJV-CKQCRWPSSA-N- Molecular formula
- C34H36ClNO10
- Average molar mass
- 654.1 g/mol
- Monoisotopic mass
- 653.202774
Names & identifiers
- Preferred name
- N-Benzyldaunomycin HCl
- IUPAC
- (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-(benzylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Names & synonyms
N-Benzyldaunomycin HClN-Benzyldaunomycin hydrochlorideCHEMBL3247999N-Benzyldaunorubicin hydrochlorideNSC 2682415,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-((phenylmethyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-
Database identifiers
- CAS
70844-04-1- PubChem CID
- 153266
- ChEMBL
CHEMBL3247999
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…