Basic information
- CAS
121071-92-9- Standard SMILES
COc1c(Cc2c[nH]c3ccccc23)[nH]c(=O)c(CC(C)C)[n+]1[O-]- InChIKey
AFTLYEDBVFGRNK-UHFFFAOYSA-N- Molecular formula
- C18H21N3O3
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.15829154
Overview
degradation product of OPC-15160; structure given in first source; superoxide inhibitor
Names & identifiers
- Preferred name
- Opc 15161
- IUPAC
- 6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one
- English name
- OPC 15161
- Molecular weight
- 0
Names & synonyms
Opc 15161Opc-15161121071-92-92(1H)-Pyrazinone, 6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-, 4-oxideDTXSID00153141RefChem:168327DTXCID70756326-(1H-Indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-2-(1H)-pyrazinone 4-oxide6-(1H-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-oneSCHEMBL9025829AFTLYEDBVFGRNK-UHFFFAOYSA-N6-(indol-3-yl)methyl-3-isobutyl-5-methoxy-1,2-dihydropyrazin-2-one 4-oxide
Show more names
3,4-Dihydro-5-[(1H-indol-3-yl)methyl]-6-methoxy-2-(2-methylpropyl)-3-oxopyrazine 1-oxide
5-[(1H-Indol-3-yl)methyl]-6-methoxy-2-(2-methylpropyl)-1-oxo-1lambda~5~-pyrazin-3(4H)-one
Database identifiers
- CAS
121071-92-9- PubChem CID
- 129359
- DTXSID
DTXSID00153141- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 568
Chemistry & industry
Applications
DescriptionOpc 15161 is a degradation product of OPC-15160 and superoxide inhibitor.
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
2 records
Compound notes
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