CGS 12066B dimaleate
Basic information
- CAS
109028-10-6- Standard SMILES
CN1CCN(c2nc3cc(C(F)(F)F)ccc3n3cccc23)CC1.O=C(O)/C=C\C(=O)O- InChIKey
ZBPAHEUAJMCLRD-BTJKTKAUSA-N- Molecular formula
- C21H21F3N4O4
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 450.15148965
Names & identifiers
- Preferred name
- CGS 12066B dimaleate
- IUPAC
- (Z)-but-2-enedioic acid;4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
- English name
- CGS 12066B DIMALEATE
- Molecular formula
- C25H25F3N4O8
- Molecular weight
- 566.48
Names & synonyms
CGS-12066A maleate1350965-83-1CGS-12066A maleate saltCGS 12066B dimaleateCGS-12066 maleate saltCPD0004687334-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline maleateCGS-12066 (maleate)CGS-12066 maleate7-Trifluoromethyl-4-(4-methyl-1-piperazinyl)pyrrolo-[1,2-a]quinoxaline maleate salt109028-10-6SR-01000075259
Show more names
CGS 12066BCgs 12066aCGS-12066A MALEATE 5HT1B SEROTONIN RECEP7-TRIFLUOROMETHYL-4-(4-METHYL-1-PIPERAZINYL)PYRROLOL(1,2-A)QUINOXALINE7-TRIFLUOROMETHYL-4-(4-METHYL-1-PIPERAZINYL)PYRROLO-(1,2-A)QUINOXALINE MALEATTE7-TRIFLUOROMETHYL-4-(4-METHYL-1-PIPERAZINYL)PYRROLO[1,2-A]-QUINOXALINE DIMALEATE4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline dimaleatePyrrolo(1,2-A)quinoxaline, 4-(4-methyl-1-piperazinyl)-7-(trifluoromethyl)-, (Z)-2-butenedioate (1:2)
1350965-83-1 (maleate)maleic acid;4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalineCGS-12066AMaleateSaltMLS000860007MLS001424273orb1700872SCHEMBL7746196CHEMBL1256689
Database identifiers
- CAS
109028-10-6- PubChem CID
- 6438352
- ChEMBL
CHEMBL1256689
Properties
Computed structural properties
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- Melting point
- 126 · 126-127℃
- Density
- 1.3424 · 1.3424 (estimate)
- storage temp.
- Store at RT
- solubility
- 2 O: · H2O: 1.4 mg/mL
- form
- solid
- color
- white
- FDA UNII
- 9 I4R0C0C · VJ9I4R0C0C
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesCGS 12066B dimaleate is a selective SR-1B agonist.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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