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KF 14124

CAT: 0013-GTR19199094-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199094-02Size:50 mg
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Description
KF 14124 is a small molecule demonstrating significant efficacy against myocardial ischemia. It has been validated in a rat model of angina pectoris induced by lysine-vasopressin, supporting its use in cardiovascular disease research for investigating anti-ischemic mechanisms and therapeutic potential.
CAS Number
134186-26-8
Smiles
O (N (=O) =O) [C@@H]1[C@@]2 ([C@@] ([C@H] (CO2) N3CCN (CCCSC4=CC=CC=C4) CC3) (OC1) [H]) [H]
Molecular Formula
C19H27N3O5S
Molecular Weight
409.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

KF 14124

structure given in first source

CAS Number134186-26-8
PubChem CID3077375
IUPAC Name[(3S,3aR,6S,6aS)-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Molecular FormulaC19H27N3O5S
Molecular Weight409.5
XLogP2.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity508
SMILES
C1CN(CCN1CCCSC2=CC=CC=C2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-]
InChI
InChI=1S/C19H27N3O5S/c23-22(24)27-17-14-26-18-16(13-25-19(17)18)21-10-8-20(9-11-21)7-4-12-28-15-5-2-1-3-6-15/h1-3,5-6,16-19H,4,7-14H2/t16-,17-,18+,19+/m0/s1
InChIKey
IHHFECHILHHROD-INDMIFKZSA-N
Chemical Structure
2D Structure
2D structure of KF 14124
CAS: 134186-26-8
CID: 3077375
Formula: C19H27N3O5S
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass409.16714214
Monoisotopic Mass409.16714214
Topological Polar Surface Area105 Ų
Heavy Atom Count28
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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