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Orthocaine

CAT: 0804-HY-W005637-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W005637-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Orthocaine is a local agent that can suppress or relieve pain (extracted from patent WO2002089849A1) [1].
CAS Number
536-25-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/orthocaine.html
Purity
99.81
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
COC(C1=CC(N)=C(O)C=C1)=O
Molecular Formula
C8H9NO3
Molecular Weight
167.16
Precautions
H302, H315, H319, H335
References & Citations
[1]Gary W. Cleary, et al. Compositions and delivery systems for administration of a local anesthetic agent. Patent WO2002089849A1.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Methyl 3-amino-4-hydroxybenzoate

Orthoform is a benzoate ester.

CAS Number536-25-4
PubChem CID10815
IUPAC Namemethyl 3-amino-4-hydroxybenzoate
Molecular FormulaC8H9NO3
Molecular Weight167.16
XLogP1
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity172
SMILES
COC(=O)C1=CC(=C(C=C1)O)N
InChI
InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3
InChIKey
VNQABZCSYCTZMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-amino-4-hydroxybenzoate
CAS: 536-25-4
CID: 10815
Formula: C8H9NO3
MW: 167.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.16
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass167.058243149
Monoisotopic Mass167.058243149
Topological Polar Surface Area72.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity172
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
MBS6056304-01Orthocaine

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