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Naltrexone-d3

CAT: 1596-AR-N08261-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08261-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1261080-26-5
Synonyms
(4R,4aS,7aR,12bS) -3- ((Cyclopropyl-1-d) methyl-d2) -4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7 (7aH) -one
Molecular Formula
C20H20D3NO4
Molecular Weight
344.43
API Name
Naltrexone

Chemical Information

Naltrexone-d3
CAS Number1261080-26-5
PubChem CID45039987
IUPAC Name(4R,4aS,7aR,12bS)-3-[dideuterio-(1-deuteriocyclopropyl)methyl]-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC20H23NO4
Molecular Weight344.4
XLogP1.9
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity621
SMILES
[2H]C1(CC1)C([2H])([2H])N2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O
InChI
InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1/i10D2,11D
InChIKey
DQCKKXVULJGBQN-VOVHGNGRSA-N
Chemical Structure
2D Structure
2D structure of Naltrexone-d3
CAS: 1261080-26-5
CID: 45039987
Formula: C20H23NO4
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass344.18153845
Monoisotopic Mass344.18153845
Topological Polar Surface Area70 Ų
Heavy Atom Count25
Formal Charge0
Complexity621
Isotope Atom Count3
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-T-83047Naltrexone-d3
RM-N201127-01Methyl Naltrexone Bromide D3
TRC-H948637-10MG10-Hydroxy Naltrexone-d3
TMIH-0339-01Methyl-d3 Naltrexone Iodide
459376N-Methyl Naltrexone-d3 Bromide
TRC-KIT0602-1X1MLNaltrexone-d3 (100ug/ml in Methanol)
sc-219331Naltrexone-d3 3-O-β-D-Glucuronide
TRC-I781012-100MGO-Isobutyryl N-Methyl Naltrexone-d3 Iodide
CS-T-986897-Dihydroxy-N-methyl Naltrexone Bromide-d3
165595Naltrexone-d3 (100 ug/mL in Methanol) discontinued

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