Desaminodesmethyllavendamycin methyl ester
Basic information
- CAS
104145-44-0- Standard SMILES
COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C=CC3=O)n1- InChIKey
LAVVTZUAVHIIPO-UHFFFAOYSA-N- Molecular formula
- C22H13N3O4
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.0906059
Names & identifiers
- Preferred name
- Desaminodesmethyllavendamycin methyl ester
- IUPAC
- methyl 1-(5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate
Names & synonyms
Desaminodesmethyllavendamycin methyl esterCCRIS 3207UNII-K73J8KKW3OK73J8KKW3OBRN 5642096104145-44-09H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(5,8-dihydro-5,8-dioxo-2-quinolinyl)-, methyl esterDTXSID201463181-(5,8-Dihydro-5,8-dioxo-2-quinolinyl)-9H-pyrido(3,4-b)indole-3-carboxylic acid methyl esterRefChem:132134DTXCID1068809Q27282041
Show more names
METHYL 1-(5,8-DIOXO-5,8-DIHYDROQUINOLIN-2-YL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE
Database identifiers
- CAS
104145-44-0- PubChem CID
- 5488265
- DTXSID
DTXSID20146318- UNII
- K73J8KKW3O
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 738
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Compound notes
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