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Lavanduquinocin

CAT: 0931-TN10543-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10543-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
167114-85-4
Bioactivity
Lavanduquinocin is a neuroprotective agent that reduces the cytotoxic effects of L-glutamate on N18-RE-105 neuronal hybridoma cells, with an effective dose (ED50) of 15.5 nM.
Smiles
C([C@@H](C)O)C=1C2=C(C=3C(N2)=CC=C(CC4=C(C)CC(C)(C)CC4)C3)C(=O)C(=O)C1C
Molecular Formula
C26H31NO3
Molecular Weight
405.529
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lavanduquinocin

Lavanduquinocin is a member of carbazoles.

CAS Number167114-85-4
PubChem CID10386586
IUPAC Name1-[(2R)-2-hydroxypropyl]-2-methyl-6-[(2,4,4-trimethylcyclohexen-1-yl)methyl]-9H-carbazole-3,4-dione
Molecular FormulaC26H31NO3
Molecular Weight405.5
XLogP4.2
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity805
SMILES
CC1=C(CCC(C1)(C)C)CC2=CC3=C(C=C2)NC4=C3C(=O)C(=O)C(=C4C[C@@H](C)O)C
InChI
InChI=1S/C26H31NO3/c1-14-13-26(4,5)9-8-18(14)11-17-6-7-21-20(12-17)22-23(27-21)19(10-15(2)28)16(3)24(29)25(22)30/h6-7,12,15,27-28H,8-11,13H2,1-5H3/t15-/m1/s1
InChIKey
OKMZLNWBACAZGV-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Lavanduquinocin
CAS: 167114-85-4
CID: 10386586
Formula: C26H31NO3
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass405.23039385
Monoisotopic Mass405.23039385
Topological Polar Surface Area70.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity805
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19255747-01Lavanduquinocin

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