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PD 123319 ditrifluoroacetate

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Basic information
Standard English name
Cas No. 130663-39-7
Alias 1-(4-(dimethylamino)-3-methylbenzyl)-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid compound with 2,2,2-trifluoroacetic acid (1:2)
Canonical Smiles CN(C)C1=CC=C(CN2C=NC3CN(C(CC2=3)C(O)=O)C(=O)C(C2C=CC=CC=2)C2C=CC=CC=2)C=C1C.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F
MDL No. MFCD00896427
Exact Mass 736.23317
Smiles O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(C1CC2=C(N=CN2CC3=CC=C(N(C)C)C(C)=C3)CN1C(C(C4=CC=CC=C4)C5=CC=CC=C5)=O)O
Security information
Character
Storage Condition
Melting Point
Boiling Point 775.8±60.0 °C(Predicted)
Flash Point
Chemical Stability
Density 1.22±0.1 g/cm3(Predicted)
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS07
Hazard Category H302;H315;H319;H335
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P261;P305+P351+P338
Water Solubility
Storage Temp.
Hazardous Decomposition Products
Chirality
Biological Activity
Physicochemical Propertie
Transport Condition
HS Code
UN No.
Feature Warning
Useage
Inchi InChI=1S/C31H32N4O3.2C2HF3O2/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24;2*3-2(4,5)1(6)7/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38);2*(H,6,7)
InchiKey GPKQIEZLHVGJQH-UHFFFAOYSA-N
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