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Landiolol hydrochloride

CAT: 0957-S5540-10mgSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0957-S5540-10mgSize:10 mg
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CAS Number
144481-98-1
Synonyms
ONO-1101 hydrochloride
Target
Adrenergic Receptor
Applications
Neuronal Signaling
Smiles
CC1 (OCC (O1) COC (=O) CCC2=CC=C (C=C2) OCC (CNCCNC (=O) N3CCOCC3) O) C.Cl
Molecular Formula
C25H39N3O8.HCl
Additionnal Information
Landiolol hydrochloride (ONO-1101) is the hydrochloride salt form of Landiolol, which is an ultra-short-acting β1 selective adrenoceptor antagonist.
Storage Conditions
3 years -20°C powder

Chemical Information

Landiolol Hydrochloride

Landiolol hydrochloride is a member of morpholines.

CAS Number144481-98-1
PubChem CID164457
IUPAC Name[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate;hydrochloride
Molecular FormulaC25H40ClN3O8
Molecular Weight546.1
Topological Polar Surface Area128
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count37
Formal Charge0
Complexity666
SMILES
CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C.Cl
InChI
InChI=1S/C25H39N3O8.ClH/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28;/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31);1H/t20-,22+;/m0./s1
InChIKey
DLPGJHSONYLBKP-IKGOIYPNSA-N
Chemical Structure
2D Structure
2D structure of Landiolol Hydrochloride
CAS: 144481-98-1
CID: 164457
Formula: C25H40ClN3O8
MW: 546.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight546.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass545.2503929
Monoisotopic Mass545.2503929
Topological Polar Surface Area128 Ų
Heavy Atom Count37
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes