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Tifluadom

CAT: 0931-T34877-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T34877-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83386-35-0
Target
Others
Related Pathways
Others
Bioactivity
Tifluadom is a type of kappa-opioid benzodiazepine.
Smiles
FC1=C(C=2C=3C(N(C)C(CNC(=O)C=4C=CSC4)CN2)=CC=CC3)C=CC=C1
Molecular Formula
C22H20FN3OS
Molecular Weight
393.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tifluadom

Tifluadom is a benzodiazepine.

CAS Number83386-35-0
PubChem CID115208
IUPAC NameN-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide
Molecular FormulaC22H20FN3OS
Molecular Weight393.5
XLogP4
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity586
SMILES
CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3F)CNC(=O)C4=CSC=C4
InChI
InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)
InChIKey
NPGABYHTDVGGJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tifluadom
CAS: 83386-35-0
CID: 115208
Formula: C22H20FN3OS
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass393.13111161
Monoisotopic Mass393.13111161
Topological Polar Surface Area72.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5784365Tifluadom
TRC-T439400-100MGTifluadom Hydrochloride

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