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SNC 80

CAT: 0607-B6441-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B6441-25Size:25 mg
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Description
A highly selective and potent nonpeptide δ-opioid receptor agonist
CAS Number
156727-74-1
Product Name Alternative
4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-methoxyphenyl)methyl)-N,N-diethylbenzamide
Field of Research
Endocrinology and Hormones Opioid Receptor
Purity
0.98
Form
A white to off-white crystalline solid
Solubility
Soluble in DMSO
Smiles
O=C(C1=CC=C(C=C1)[C@H](C2=CC=CC(OC)=C2)N3[C@@H](C)CN(CC=C)[C@H](C)C3)N(CC)CC
Molecular Formula
C28H39N3O2
Molecular Weight
449.64
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

Snc 80

4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide is a diarylmethane.

CAS Number156727-74-1
PubChem CID123924
IUPAC Name4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
Molecular FormulaC28H39N3O2
Molecular Weight449.6
XLogP4.9
Topological Polar Surface Area36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity614
SMILES
CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)OC)N3C[C@H](N(C[C@@H]3C)CC=C)C
InChI
InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
InChIKey
KQWVAUSXZDRQPZ-UMTXDNHDSA-N
Chemical Structure
2D Structure
2D structure of Snc 80
CAS: 156727-74-1
CID: 123924
Formula: C28H39N3O2
MW: 449.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.6
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass449.30422750
Monoisotopic Mass449.30422750
Topological Polar Surface Area36 Ų
Heavy Atom Count33
Formal Charge0
Complexity614
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

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