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Landiolol

CAT: 1596-AR-L01123-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01123-02Size:25 Units
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CAS Number
133242-30-5
Synonyms
((S) -2,2-dimethyl-1,3-dioxolan-4-yl) methyl3- (4- ((S) -2-hydroxy-3- ((2- (morpholine-4-carboxamido) ethyl) amino) propoxy) phenyl) propanoate; 4-[ (2S) -2-Hydroxy-3-[[2-[ (4-morpholinylcarbonyl) amino]ethyl]amino]propoxy]benzenepropanoic Acid [ (4S) -2,2-Dimethyl-1,3-dioxolan-4-yl]methyl Ester Hydrochloride; 4-[ (2S) -2-hydroxy-3-[[2-[ (4-morpholinylcarbonyl) amino]ethyl]amino]propoxy]benzenepropanoic Acid [ (4S) -2,2-Dimethyl-1,3-dioxolan-4-yl]methyl Ester Monohydrochloride; [S- (R*, R*) ]-4-[2-Hydroxy-3-[[2-[ (4-morpholinylcarbonyl) amino]ethyl]amino]propoxy]benzenepropanoic Acid (2,2-Dimethyl-1,3-dioxolan-4-yl) methyl Ester Monohydrochloride; Corebeta; ONO 1101 Hydrochloride; Onoact
Molecular Formula
C25H39N3O8
Molecular Weight
509.6
API Name
Landiolol

Chemical Information

Landiolol

Landiolol is a member of morpholines.

CAS Number133242-30-5
PubChem CID114905
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
Molecular FormulaC25H39N3O8
Molecular Weight509.6
XLogP0.1
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count36
Formal Charge0
Complexity666
SMILES
CC1(OC[C@H](O1)COC(=O)CCC2=CC=C(C=C2)OC[C@H](CNCCNC(=O)N3CCOCC3)O)C
InChI
InChI=1S/C25H39N3O8/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)/t20-,22+/m0/s1
InChIKey
WMDSZGFJQKSLLH-RBBKRZOGSA-N
Chemical Structure
2D Structure
2D structure of Landiolol
CAS: 133242-30-5
CID: 114905
Formula: C25H39N3O8
MW: 509.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight509.6
XLogP30.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass509.27371521
Monoisotopic Mass509.27371521
Topological Polar Surface Area128 Ų
Heavy Atom Count36
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 Count1
Compound Is CanonicalizedYes