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YM758

CAT: 0931-T13374-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T13374-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
312752-85-5
Target
HCN Channel, Others
Related Pathways
Others, Membrane transporter/Ion channel
Purity
0.9969
Bioactivity
YM758 is an inhibitor of If current channel.
Smiles
COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H]1CCCN(CCNC(=O)c2ccc(F)cc2)C1
Molecular Formula
C26H32FN3O4
Molecular Weight
469.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

YM-758

an If channel inhibitor; structure in first source

CAS Number312752-85-5
PubChem CID9894205
IUPAC NameN-[2-[(3R)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethyl]-4-fluorobenzamide
Molecular FormulaC26H32FN3O4
Molecular Weight469.5
XLogP2.8
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity687
SMILES
COC1=C(C=C2CN(CCC2=C1)C(=O)[C@@H]3CCCN(C3)CCNC(=O)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C26H32FN3O4/c1-33-23-14-19-9-12-30(17-21(19)15-24(23)34-2)26(32)20-4-3-11-29(16-20)13-10-28-25(31)18-5-7-22(27)8-6-18/h5-8,14-15,20H,3-4,9-13,16-17H2,1-2H3,(H,28,31)/t20-/m1/s1
InChIKey
MWLKUSHZNSYRKK-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of YM-758
CAS: 312752-85-5
CID: 9894205
Formula: C26H32FN3O4
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass469.23768467
Monoisotopic Mass469.23768467
Topological Polar Surface Area71.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity687
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M26513-01YM758
MBS5778849YM758 Phosphate
HY-105323YM758 (phosphate)

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