Basic information
- CAS
59493-94-6- Standard SMILES
COC1=C(C)C(=O)c2cc(=O)n(C)cc2C1=O- InChIKey
BXQZTMMXFKFJIY-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Overview
Mimosamycin is a member of isoquinolines.
Names & identifiers
- Preferred name
- 7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrione
- IUPAC
- 7-methoxy-2,6-dimethylisoquinoline-3,5,8-trione
- English name
- mimosamycin
- Molecular formula
- C12H11NO4
- Molecular weight
- 233.22
Names & synonyms
Mimosamycin59493-94-67-methoxy-2,6-dimethylisoquinoline-3,5,8-trione7-Methoxy-2,6-dimethyl-3,5,8(2H)-isoquinolinetrioneDTXSID70208192RefChem:914362DTXCID90130683BRN 04045887-methoxy-2,6-dimethylisoquinoline-3,5,8(2h)-trione5-21-13-00478 (Beilstein Handbook Reference)SCHEMBL600128orb3024269
Show more names
2,6-Dimethyl-7-methoxyisoquinoline-3,5,8(2H)-trione2,6-Dimethyl-7-methoxy-3,5,8(2H)-isoquinolinetrione
BXQZTMMXFKFJIY-UHFFFAOYSA-3,5,8(2H)-Isoquinolinetrione, 7-methoxy-2,6-dimethyl-CHEBI:2233323,5,8(2H)-ISOQUINOLINETRIONE, 2,6-DIMETHYL-7-METHOXY-HY-N14902CCG-257552TN106527-methoxy-2,6-dimethyl-isoquinoline-3,5,8-trione
Database identifiers
- CAS
59493-94-6- PubChem CID
- 4198
- DTXSID
DTXSID70208192- ChEMBL
CHEMBL509316- ChEBI
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 537
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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