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Tripelennamine citrate

CAT: 0931-T62669-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62669-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6138-56-3
Target
Others, Endogenous Metabolite, Histamine Receptor
Related Pathways
Others, Metabolism, GPCR/G Protein, Immunology/Inflammation, Neuroscience
Bioactivity
Tripelennamine citrate is an ethylenediamine derivative and is a potent histamine H1 receptor antagonist. tripelennamine citrate reduces histamine-induced allergic reactions in the body. tripelennamine citrate can be used to study rhinitis, conjunctivitis, allergic and anaphylactic reactions.
Smiles
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCN(Cc1ccccc1)c1ccccn1
Molecular Formula
C22H29N3O7
Molecular Weight
447.488
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tripelennamine Citrate

See also: Tripelennamine (has active moiety); Tripelennamine Hydrochloride (related).

CAS Number6138-56-3
PubChem CID197066
IUPAC NameN'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC22H29N3O7
Molecular Weight447.5
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity464
SMILES
CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C16H21N3.C6H8O7/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
GGRBYIUPUOYRLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tripelennamine Citrate
CAS: 6138-56-3
CID: 197066
Formula: C22H29N3O7
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass447.20055027
Monoisotopic Mass447.20055027
Topological Polar Surface Area152 Ų
Heavy Atom Count32
Formal Charge0
Complexity464
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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Alternative Products

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MBS5805349Tripelennamine citrate
HY-17428BTripelennamine (citrate)
HY-17428ATripelennamine
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