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CXN37378

CAT: 0013-GTR19208222-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208222-02Size:50 mg
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Description
CXN37378 (NAP) is a potent and selective μ-opioid receptor (MOR) antagonist. This research compound is utilized in both in vitro and in vivo studies to investigate pain pathways, opioid signaling, and potential treatments for substance use disorders.
CAS Number
1236037-37-8
Smiles
O[C@]12[C@@]34C=5C (O[C@]3 ([C@H] (NC (=O) C=6C (C) =CN=CC6) CC1) [H]) =C (O) C=CC5C[C@]2 (N (CC7CC7) CC4) [H]
Molecular Formula
C27H31N3O4
Molecular Weight
461.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MOR antagonist NAP
CAS Number1236037-37-8
PubChem CID53388149
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]-3-methylpyridine-4-carboxamide
Molecular FormulaC27H31N3O4
Molecular Weight461.6
XLogP0.6
Topological Polar Surface Area94.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity837
SMILES
CC1=C(C=CN=C1)C(=O)N[C@@H]2CC[C@]3([C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC7CC7)O
InChI
InChI=1S/C27H31N3O4/c1-15-13-28-10-7-18(15)25(32)29-19-6-8-27(33)21-12-17-4-5-20(31)23-22(17)26(27,24(19)34-23)9-11-30(21)14-16-2-3-16/h4-5,7,10,13,16,19,21,24,31,33H,2-3,6,8-9,11-12,14H2,1H3,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
InChIKey
COQZBDBMRLFDRK-XGTKUTNFSA-N
Chemical Structure
2D Structure
2D structure of MOR antagonist NAP
CAS: 1236037-37-8
CID: 53388149
Formula: C27H31N3O4
MW: 461.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.6
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass461.23145648
Monoisotopic Mass461.23145648
Topological Polar Surface Area94.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity837
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

Alternative Products

CatalogName
T71164-01CXN37378

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