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Naltrindole hydrochloride

CAT: 0607-B6429-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6429-10Size:10 mg
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Description
δ opioid antagonist
CAS Number
111469-81-9
Product Name Alternative
(4bS,8R,8aR,14bR)-7-(cyclopropylmethyl)-5,6,7,8,8a,9,14,14b-octahydro-4,8-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a-diol hydrochloride
Field of Research
Endocrinology and Hormones Opioid Receptor
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O[C@]([C@@H]1N(CC2CC2)CC3)(CC4=C5NC6=CC=CC=C46)[C@@]3(C7=C(C=C8)C1)[C@H]5OC7=C8O.Cl
Molecular Formula
C26H26N2O3·HCl
Molecular Weight
450.96
Shipping Conditions
Room Temperature
Storage Conditions
Store at RT.

Chemical Information

Naltrindole hydrochloride
CAS Number111469-81-9
PubChem CID24840086
IUPAC Name(1S,2S,13R,21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;hydrochloride
Molecular FormulaC26H27ClN2O3
Molecular Weight451.0
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity774
SMILES
C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6.Cl
InChI
InChI=1S/C26H26N2O3.ClH/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14;/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2;1H/t20-,24+,25+,26-;/m1./s1
InChIKey
KNJKRQXCFJCQHC-IDRHMUJXSA-N
Chemical Structure
2D Structure
2D structure of Naltrindole hydrochloride
CAS: 111469-81-9
CID: 24840086
Formula: C26H27ClN2O3
MW: 451.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass450.1710204
Monoisotopic Mass450.1710204
Topological Polar Surface Area68.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity774
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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