U-99194 maleate
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Basic information
- CAS
234757-41-6- Standard SMILES
CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1.O=C(O)/C=C\C(=O)O- InChIKey
FSIQDESGRQTFNN-BTJKTKAUSA-N- Molecular formula
- C21H31NO6
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.21513771
Names & identifiers
- Preferred name
- U-99194 maleate
- IUPAC
- (Z)-but-2-enedioic acid;5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
- English name
- U-99194 MALEATE
- Molecular formula
- C17H27NO2.C4H4O4
- Molecular weight
- 393.47
Names & synonyms
234757-41-6U-99194 maleateU-99194A maleateU 99194 maleateU-99194 maleate salt5,6-Dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine maleate5,6-Dimethoxy-2-(di-n-propylamino)indan maleateU-99194 (maleate)5,6-Dimethoxy-2-(di-n-propylamino)indan maleate salt(Z)-but-2-enedioic acid;5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amineU-99194-d6 Maleate SaltSR-01000075413
Show more names
U-99194AU-99194 maleateU 99194 maleate (PNU 99194)U 99194 maleate (PNU 99194), D3 antagonist5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine fumarate5,6-Dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-ylamine maleate
1217227-99-0U99194 Maleate153570-58-2EU-0101207MLS000862199orb1703957CHEMBL1256838SCHEMBL29725518
Database identifiers
- CAS
234757-41-6- PubChem CID
- 11957713
- DTXSID
DTXSID801017389- ChEMBL
CHEMBL1256838
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- storage temp.
- Store at RT
- solubility
- 2 O: · H2O: >5mg/mL
- form
- solid
- color
- white
- Water Solubility
- 25 mM · Soluble to 25 mM in water
- InChI
- 1S/C17H27NO2.C4H4O4/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15;5-3(6)1-2-4(7)8/h11-12,15H,5-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
- InChIKey
- FSIQDESGRQTFNN-BTJKTKAUSA-N
- SMILES
- OC(=O)\C=C/C(O)=O.CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesU-99194 Maleate Salt is a dopamine D3 antagonist that has shown to increase aggressive behaviors in mice.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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