Migrenin
Basic information
- CAS
8066-49-7- Standard SMILES
Cc1cc(=O)n(-c2ccccc2)n1C.Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
XCRAFTGAMMSJLO-UHFFFAOYSA-N- Molecular formula
- C25H30N6O10
- Average molar mass
- 574.5 g/mol
- Monoisotopic mass
- 574.20234118
Overview
Migrenin (TN) is an oxopurine.
Names & identifiers
- Preferred name
- Migrenin
- IUPAC
- 1,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione
Names & synonyms
MigreninMigrenin (TN)Migrenin [JAN]3Z4LOI7NPGPHENAZONE AND CAFFEINE CITRATE [MART.]1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixt. with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one and 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dionePHENAZONE AND CAFFEINE CITRATE IS A POWDER USUALLY CONTAINING PHENAZONE 90%, CAFFEINE 9%, AND CITRIC ACID MONOHYDRATE 1%PHENAZONE AND CAFFEINE CITRATE (MART.)Migrenin (JP17)RefChem:158844ANTIPYRINE: ANHYDROUS CAFFEINE: ANHYDROUS CITRIC ACID = 90:9:1Migrenine
Show more names
UNII-3Z4LOI7NPG8066-49-71,5-dimethyl-2-phenylpyrazol-3-one;2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dioneMigrenin (JP18)SCHEMBL375507CHEBI:31848D01706ANTIPYRINE : ANHYDROUS CAFFEINE : ANHYDROUS CITRIC ACID = 90:9:1
Database identifiers
- CAS
8066-49-7- PubChem CID
- 444035
- ChEBI
CHEBI:31848- UNII
- 3Z4LOI7NPG
Properties
Computed structural properties
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 787
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Related reactions
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Compound notes
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