Eleclazine free base 5mg

CAT: 0628-A22493-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A22493-5Size:5 mg

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CAS Number

1443211-72-0

Chemical Information

Eleclazine

Eleclazine has been used in trials studying the treatment of LQT2 Syndrome, Long QT Syndrome, Ischemic Heart Disease, Ventricular Arrhythmia, and Long QT Syndrome Type 3, among others.

CAS Number	1443211-72-0
PubChem CID	71183216
IUPAC Name	4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
Molecular Formula	C21H16F3N3O3
Molecular Weight	415.4
XLogP	3.7
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	578

SMILES

C1COC2=C(C=C(C=C2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)N1CC4=NC=CC=N4

InChI

InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2

InChIKey

YNUAEEJQYHYLMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1443211-72-0

CID: 71183216

Formula: C21H16F3N3O3

MW: 415.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	415.4
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	415.11437587
Monoisotopic Mass	415.11437587
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	578
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Eleclazine free base 5mg

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