KF 14124
Basic information
- CAS
134186-26-8- Standard SMILES
O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N1CCN(CCCSc2ccccc2)CC1- InChIKey
IHHFECHILHHROD-INDMIFKZSA-N- Molecular formula
- C19H27N3O5S
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.16714214
Overview
structure given in first source
Names & identifiers
- Preferred name
- KF 14124
- IUPAC
- [(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
- English name
- KF 14124
- Molecular formula
- C19H27N3O5S
- Molecular weight
- 409.49978
Names & synonyms
Dptpp-2-ismn134186-26-8KF 14124KF-14124RefChem:1511645-Deoxy-5-(4-(3-phenylthiopropyl)piperazin-1-yl)-1,4:3,6-dianhydro-L-iditol 2-nitrate dihydrochloride[(3S,3aR,6S,6aS)-3-[4-(3-phenylsulfanylpropyl)piperazin-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate1,4:3,6-Dianhydro-2-deoxy-2-(4-(3-(phenylthio)propyl)-1-piperazinyl)-L-iditol 5-nitrateL-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(4-(3-(phenylthio)propyl)-1-piperazinyl)-, 5-nitrateDTXSID70928505orb1702136AKOS040746954
Show more names
L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-[4-[3-(phenylthio)propyl]-1-piperazinyl]-, 5-nitrate
(3S,3aS,6S,6aR)-6-(4-(3-(phenylthio)propyl)piperazin-1-yl)hexahydrofuro[3,2-b]furan-3-yl nitrateHY-117618T255751,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-{4-[3-(phenylsulfanyl)propyl]piperazin-1-yl}-L-iditol1,4:3,6-Dianhydro-2-deoxy-5-O-nitro-2-{4-[3-(phenylsulfanyl)propyl]piperazin-1-yl}hexitol
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Boiling point
- 556.3 · 556.3±50.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 7.55 · 7.55±0.10(Predicted)
Chemistry & industry
Applications
DescriptionKF 14124 showed potent anti-ischemic activity in a lysine-vasopressin-induced angina pectoris model (rats).
UsesKF-14124, an orally active organic nitrate, a long-acting vasodilator with highly selective venous dilating action. KF-14124 is used in the study for angina pectoris. KF-14124 shows good oral inhibition of lysine-vasopressin induced coronary vasospasm with a potency[1][2].
Related reactions
0 records
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Compound notes
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