N,N-Didecyldaunorubicin hydrochloride
Basic information
- CAS
70844-14-3- Standard SMILES
CCCCCCCCCCN(CCCCCCCCCC)C1CC(OC2CC(O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O.Cl- InChIKey
FPYYHTDGZJTMDR-UHFFFAOYSA-N- Molecular formula
- C47H70ClNO10
- Average molar mass
- 844.5 g/mol
- Monoisotopic mass
- 843.4688251
Names & identifiers
- Preferred name
- N,N-Didecyldaunorubicin hydrochloride
- IUPAC
- 9-acetyl-7-[4-(didecylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Names & synonyms
70844-14-3N,N-Didecyldaunorubicin hydrochloride5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-3-(didecylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, hydrochloride, (8S-cis)-DTXSID10991112NSC282179NSC 282179NSC-2821793-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(didecylamino)hexopyranoside--hydrogen chloride (1/1)
Database identifiers
- CAS
70844-14-3- PubChem CID
- 153281
- DTXSID
DTXSID10991112
Properties
Computed structural properties
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 23
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,280
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Compound notes
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