Basic information
- CAS
133681-84-2- Standard SMILES
Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2.Cl.Cl- InChIKey
KJGXSMZHYBXPIS-UHFFFAOYSA-N- Molecular formula
- C30H46Cl2N6O2
- Average molar mass
- 593.6 g/mol
- Monoisotopic mass
- 592.3059301
Overview
iron-catalyzed lipid peroxidation inhibitor; structure given in first source; RN given is for diHCl
Names & identifiers
- Preferred name
- U 78517F
- IUPAC
- 2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;dihydrochloride
- English name
- U 78517F
- Molecular formula
- C10H13NO
- Molecular weight
- 163.21632
Names & synonyms
133681-84-2U-78517FU78517FU 78517F2-MACU-78,517GRefChem:192813PNU83836EPNU-83836EU-78517GU-83836 dihydrochloride2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;dihydrochloride
Show more names
2H-1-Benzopyran-6-ol, 2-[[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]methyl]-3,4-dihydro-2,5,7,8-tetramethyl-, hydrochloride (1:2), (2R)-orb1738533SCHEMBL3092488CHEMBL1203324SCHEMBL29377695DTXSID40928239AKOS025394342CCG-207914
Database identifiers
- CAS
133681-84-2- PubChem CID
- 107656
- DTXSID
DTXSID40928239- ChEMBL
CHEMBL1203324
Properties
Computed structural properties
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 783
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Drugs that are used to treat asthma.
Applications
DescriptionU-78517F is a potent inhibitor of lipid peroxidation.
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
0 records
No reaction records under the current filter.
Compound notes
Loading…