Products for Research Use Only

NNTA

CAT: 0013-GTR19209263-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209263-02Size:50 mg
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Description
NNTA is a potent and selective small molecule activator of μ/κ-opioid receptor heteromers. This compound is a valuable research tool for investigating the signaling, physiology, and behavioral roles of this receptor complex in both in vitro and in vivo models.
CAS Number
1124167-70-9
Smiles
O[C@]12[C@@]34C=5C (O[C@]3 ([C@H] (NC (=O) C6=CC7=C (C=C6) C=CC=C7) CC1) [H]) =C (O) C=CC5C[C@]2 (N (CC8CC8) CC4) [H]
Molecular Formula
C31H32N2O4
Molecular Weight
496.60
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Naphthoyl-beta-naltrexamine
CAS Number1124167-70-9
PubChem CID25233081
IUPAC NameN-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]naphthalene-2-carboxamide
Molecular FormulaC31H32N2O4
Molecular Weight496.6
XLogP2.5
Topological Polar Surface Area82
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity925
SMILES
C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1NC(=O)C7=CC8=CC=CC=C8C=C7)OC5=C(C=C4)O)O
InChI
InChI=1S/C31H32N2O4/c34-24-10-9-21-16-25-31(36)12-11-23(32-29(35)22-8-7-19-3-1-2-4-20(19)15-22)28-30(31,26(21)27(24)37-28)13-14-33(25)17-18-5-6-18/h1-4,7-10,15,18,23,25,28,34,36H,5-6,11-14,16-17H2,(H,32,35)/t23-,25-,28+,30+,31-/m1/s1
InChIKey
XZQMGGFIVXLGME-PTSROERVSA-N
Chemical Structure
2D Structure
2D structure of N-Naphthoyl-beta-naltrexamine
CAS: 1124167-70-9
CID: 25233081
Formula: C31H32N2O4
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight496.6
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass496.23620751
Monoisotopic Mass496.23620751
Topological Polar Surface Area82 Ų
Heavy Atom Count37
Formal Charge0
Complexity925
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes