Lirinidine

CAT: 0127-BUP00559-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP00559-03Size:10 mg

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CAS Number

54383-28-7

Purity

=98%

Smiles

[H][C@@]12Cc3ccccc3-c3c(O)c(OC)cc(CCN1C)c23

Chemical Information

Lirinidine

Lirinidine has been reported in Magnolia officinalis, Neostenanthera gabonensis, and other organisms with data available.

CAS Number	54383-28-7
PubChem CID	31069
IUPAC Name	(6aS)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Molecular Formula	C18H19NO2
Molecular Weight	281.3
XLogP	2.6
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	387

SMILES

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=CC=C43)O)OC

InChI

InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(21-2)18(20)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/t14-/m0/s1

InChIKey

YXVXMURDCBMPRH-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 54383-28-7

CID: 31069

Formula: C18H19NO2

MW: 281.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.3
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	281.141578849
Monoisotopic Mass	281.141578849
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	387
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3617653-01	Lirinidine