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Transcainide

CAT: 0127-BUP07864-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07864-05Size:100 mg
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CAS Number
88296-62-2
Synonyms
R54718, R 54718, R-54718
Purity
=98%
Smiles
C(NC1=C(C)C=CC=C1C)(=O)C2(N(C)C)CCN(CC2)[C@H]3[C@H](O)CCCC3

Chemical Information

Transcainide
CAS Number88296-62-2
PubChem CID68608
IUPAC Name4-(dimethylamino)-N-(2,6-dimethylphenyl)-1-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide
Molecular FormulaC22H35N3O2
Molecular Weight373.5
XLogP2.9
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity492
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2(CCN(CC2)[C@@H]3CCCC[C@H]3O)N(C)C
InChI
InChI=1S/C22H35N3O2/c1-16-8-7-9-17(2)20(16)23-21(27)22(24(3)4)12-14-25(15-13-22)18-10-5-6-11-19(18)26/h7-9,18-19,26H,5-6,10-15H2,1-4H3,(H,23,27)/t18-,19-/m1/s1
InChIKey
MFKCGXDCHAFQQZ-RTBURBONSA-N
Chemical Structure
2D Structure
2D structure of Transcainide
CAS: 88296-62-2
CID: 68608
Formula: C22H35N3O2
MW: 373.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass373.27292737
Monoisotopic Mass373.27292737
Topological Polar Surface Area55.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19198602-01Transcainide

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