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Mirogabalin

CAT: 0127-BUP08274-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP08274-04Size:50 mg
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CAS Number
1138245-13-2
Synonyms
DS5565
Purity
=98%
Smiles
CCC1=C[C@@H]2[C@@H](C[C@]2(CN)CC(O)=O)C1

Chemical Information

Mirogabalin

Mirogabalin has been used in trials studying the treatment of Post-herpetic Neuralgia, Pain Associated With Fibromyalgia, and Diabetic peripheral neuropathic pain.

CAS Number1138245-13-2
PubChem CID59509752
IUPAC Name2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid
Molecular FormulaC12H19NO2
Molecular Weight209.28
XLogP-1.7
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity311
SMILES
CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CC(=O)O)CN
InChI
InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1
InChIKey
FTBQORVNHOIASH-CKYFFXLPSA-N
Chemical Structure
2D Structure
2D structure of Mirogabalin
CAS: 1138245-13-2
CID: 59509752
Formula: C12H19NO2
MW: 209.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.28
XLogP3-1.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass209.141578849
Monoisotopic Mass209.141578849
Topological Polar Surface Area63.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity311
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-12650-01Mirogabalin
319552Mirogabalin besylate
HY-12650R-01Mirogabalin (Standard)
HY-12650A(rel) -Mirogabalin
RM-M581158-01Mirogabalin-D2
A21626-10Mirogabalin 10mg
TRC-M841250-100MGMirogabalin Lactam

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