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Traxoprodil Mesylate

CAT: 0931-TQ0233L-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-TQ0233L-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
188591-67-5
Target
Others, iGluR
Related Pathways
Others, Neuroscience, Membrane transporter/Ion channel
Bioactivity
Traxoprodil Mesylate is a potent noncompetitive N-methyl-D-aspartate (NMDA) receptors antagonist and has selective for the NR2B subunit.
Smiles
S(C)(=O)(=O)O.OC1(CCN([C@H]([C@@H](O)C2=CC=C(O)C=C2)C)CC1)C3=CC=CC=C3
Molecular Formula
C21H29NO6S
Molecular Weight
423.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CP-101606 mesylate

See also: Traxoprodil Mesylate (annotation moved to).

CAS Number188591-67-5
PubChem CID9802399
IUPAC Name1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol;methanesulfonic acid
Molecular FormulaC21H29NO6S
Molecular Weight423.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity473
SMILES
C[C@@H]([C@H](C1=CC=C(C=C1)O)O)N2CCC(CC2)(C3=CC=CC=C3)O.CS(=O)(=O)O
InChI
InChI=1S/C20H25NO3.CH4O3S/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17;1-5(2,3)4/h2-10,15,19,22-24H,11-14H2,1H3;1H3,(H,2,3,4)/t15-,19+;/m0./s1
InChIKey
OZBWUANKVIMZIA-WRRDZZDISA-N
Chemical Structure
2D Structure
2D structure of CP-101606 mesylate
CAS: 188591-67-5
CID: 9802399
Formula: C21H29NO6S
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass423.17155882
Monoisotopic Mass423.17155882
Topological Polar Surface Area127 Ų
Heavy Atom Count29
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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