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TCV-309 chloride

CAT: 1410-M10802-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A highly potent and selective platelet activating factor (PAF) antagonist; inhibits PAF-induced aggregation of rabbit and human platelets with IC50s of 33 nM and 55 nM respectively.
CAS Number
121494-09-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
629.9724
Molecular Formula
C30H34BrClN4O4
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

TCV-309 chloride
CAS Number121494-09-5
PubChem CID15037614
IUPAC Name2-[3-(N-(5-bromo-1-propylpyridin-1-ium-3-carbonyl)anilino)propanoylamino]ethyl 3,4-dihydro-1H-isoquinoline-2-carboxylate chloride
Molecular FormulaC30H34BrClN4O4
Molecular Weight630.0
Topological Polar Surface Area82.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity808
SMILES
CCC[N+]1=CC(=CC(=C1)Br)C(=O)N(CCC(=O)NCCOC(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4.[Cl-]
InChI
InChI=1S/C30H33BrN4O4.ClH/c1-2-15-33-20-25(19-26(31)22-33)29(37)35(27-10-4-3-5-11-27)17-13-28(36)32-14-18-39-30(38)34-16-12-23-8-6-7-9-24(23)21-34;/h3-11,19-20,22H,2,12-18,21H2,1H3;1H
InChIKey
HBWMSZWQSYEBPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TCV-309 chloride
CAS: 121494-09-5
CID: 15037614
Formula: C30H34BrClN4O4
MW: 630.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass628.14520
Monoisotopic Mass628.14520
Topological Polar Surface Area82.8 Ų
Heavy Atom Count40
Formal Charge0
Complexity808
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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