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Naltrexone-d4

CAT: 1596-AR-N08262-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08262-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2070009-29-7
Synonyms
(4R,4aS,7aR,12bS) -3- ((Cyclopropyl-2,2,3,3-d4) methyl) -4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7 (7aH) -one
Molecular Formula
C21H28N7O17P3
Molecular Weight
345.43
API Name
Naltrexone

Chemical Information

Naltrexone-d4
CAS Number2070009-29-7
PubChem CID76973231
IUPAC Name(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-[(2,2,3,3-tetradeuteriocyclopropyl)methyl]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC20H23NO4
Molecular Weight345.4
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(C(C1([2H])[2H])CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)[2H]
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/i1D2,2D2
InChIKey
DQCKKXVULJGBQN-FLTDTWANSA-N
Chemical Structure
2D Structure
2D structure of Naltrexone-d4
CAS: 2070009-29-7
CID: 76973231
Formula: C20H23NO4
MW: 345.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass345.18781520
Monoisotopic Mass345.18781520
Topological Polar Surface Area70 Ų
Heavy Atom Count25
Formal Charge0
Complexity621
Isotope Atom Count4
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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