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Hydrocotarnine

CAT: 0013-GTR19164873-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164873-04Size:10 mg
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Description
Hydrocotarnine
CAS Number
550-10-7
Product Name Alternative
Cancer pain, Cbl, cellular glucose uptake, E3 ligating enzyme, E1 activating enzyme, E1/E2/E3 Enzyme, E2 conjugating enzyme, NLRP3, inflammasome activation, inhibit, glycolytic capacity, glycolytic metabolism, GLUT1, hydrocotarnine, IL-18, IL-1β, Inhibitor, Ubiquitin activating enzyme, Ubiquitin conjugating enzyme, Ubiquitin ligase
Field of Research
Immunology & Inflammation, Protein Biochemistry
Purity
95.26% (May vary between batches)
Solubility
DMSO:55 mg/mL (248.59 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (9.04 mM)
Smiles
COC1=C2CN (C) CCC2=CC2=C1OCO2
Molecular Formula
C12H15NO3
Molecular Weight
221.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hydrocotarnine

4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline is a member of isoquinolines.

CAS Number550-10-7
PubChem CID3646
IUPAC Name4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Molecular FormulaC12H15NO3
Molecular Weight221.25
XLogP1.6
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity261
SMILES
CN1CCC2=CC3=C(C(=C2C1)OC)OCO3
InChI
InChI=1S/C12H15NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5H,3-4,6-7H2,1-2H3
InChIKey
XXANNZJIZQTCBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydrocotarnine
CAS: 550-10-7
CID: 3646
Formula: C12H15NO3
MW: 221.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.25
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass221.10519334
Monoisotopic Mass221.10519334
Topological Polar Surface Area30.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity261
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP07807-01Hydrocotarnine
TN4237Hydrocotarnine hydrobromide
TRC-H714710-100MGHydrocotarnine Hydrochloride
HY-N8580Hydrocotarnine (hydrobromide)
TRC-H714712-25MGHydrocotarnine Hydrochloride-d3

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