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Oliceridine hydrochloride

CAT: 1410-M23557-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M23557-01Size:1 g
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Description
Oliceridine hydrochloride is an agonist of G protein biased μ opioid receptor (pEC50: 8.1) .
CAS Number
1401031-39-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
423.01
Molecular Formula
C22H31ClN2O2S
Notes
Research use only, not for human use.
Receptor
Μ-opioid receptor

Chemical Information

Oliceridine hydrochloride
CAS Number1401031-39-7
PubChem CID68313941
IUPAC NameN-[(3-methoxythiophen-2-yl)methyl]-2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]ethanamine;hydrochloride
Molecular FormulaC22H31ClN2O2S
Molecular Weight423.0
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity471
SMILES
COC1=C(SC=C1)CNCC[C@]2(CCOC3(C2)CCCC3)C4=CC=CC=N4.Cl
InChI
InChI=1S/C22H30N2O2S.ClH/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22;/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3;1H/t21-;/m1./s1
InChIKey
YIIWXYLJZRISQP-ZMBIFBSDSA-N
Chemical Structure
2D Structure
2D structure of Oliceridine hydrochloride
CAS: 1401031-39-7
CID: 68313941
Formula: C22H31ClN2O2S
MW: 423.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass422.1794771
Monoisotopic Mass422.1794771
Topological Polar Surface Area71.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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