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10-Hydroxy Naltrexone

CAT: 1596-AR-N08062-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08062-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
604767-82-0
API Name
Naltrexone

Chemical Information

(5alpha)-17-(Cyclopropylmethyl)-3,10,14-trihydroxy-4,5-epoxymorphinan-6-one
CAS Number604767-82-0
PubChem CID71749207
IUPAC Name(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9,13-trihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC20H23NO5
Molecular Weight357.4
XLogP0.8
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity652
SMILES
C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2C(C6=C4C(=C(C=C6)O)O5)O)O
InChI
InChI=1S/C20H23NO5/c22-12-4-3-11-14-16(12)26-18-13(23)5-6-20(25)17(15(11)24)21(9-10-1-2-10)8-7-19(14,18)20/h3-4,10,15,17-18,22,24-25H,1-2,5-9H2/t15?,17-,18+,19+,20-/m1/s1
InChIKey
SPLLFLBLAXVPPQ-KNQKJSHASA-N
Chemical Structure
2D Structure
2D structure of (5alpha)-17-(Cyclopropylmethyl)-3,10,14-trihydroxy-4,5-epoxymorphinan-6-one
CAS: 604767-82-0
CID: 71749207
Formula: C20H23NO5
MW: 357.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass357.15762283
Monoisotopic Mass357.15762283
Topological Polar Surface Area90.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity652
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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440293-018β-Hydroxy Naltrexone
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