[6-[2-[bis(2-hydroxyethyl)amino]acetyl]-2-hydroxy-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] acetate
Basic information
- CAS
74427-07-9- Standard SMILES
COc1ccc2c(c1OC(C)=O)-c1cc(O)cc3c1C(C2)N(C(=O)CN(CCO)CCO)CC3- InChIKey
IZXBBZQCCAPTEM-UHFFFAOYSA-N- Molecular formula
- C25H30N2O7
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.2053013
Names & identifiers
- Preferred name
- [6-[2-[bis(2-hydroxyethyl)amino]acetyl]-2-hydroxy-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] acetate
- IUPAC
- [6-[2-[bis(2-hydroxyethyl)amino]acetyl]-2-hydroxy-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl] acetate
Names & synonyms
NSC28245374427-07-9DTXSID30314389NSC-2824536-[N,N-Bis(2-hydroxyethyl)glycyl]-2-hydroxy-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl acetate
Database identifiers
- CAS
74427-07-9- PubChem CID
- 323294
- DTXSID
DTXSID30314389
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 715
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Compound notes
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