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8β-Hydroxy Naltrexone

CAT: 1596-AR-N08997-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08997-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2139257-33-1
Synonyms
(4R,4aS,5S,7aR,12bS) -3- (cyclopropylmethyl) -4a,5,9-trihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7 (7aH) -one
Molecular Formula
C20H23NO5
Molecular Weight
357.4
API Name
Naltrexone

Chemical Information

8Beta-Hydroxy Naltrexone
CAS Number2139257-33-1
PubChem CID71749201
IUPAC Name(4R,4aS,5S,7aR,12bS)-3-(cyclopropylmethyl)-4a,5,9-trihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC20H23NO5
Molecular Weight357.4
XLogP0.9
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)C[C@@H]([C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O
InChI
InChI=1S/C20H23NO5/c22-12-4-3-11-7-14-20(25)15(24)8-13(23)18-19(20,16(11)17(12)26-18)5-6-21(14)9-10-1-2-10/h3-4,10,14-15,18,22,24-25H,1-2,5-9H2/t14-,15+,18+,19+,20+/m1/s1
InChIKey
GEJUGVQZUBDPAB-KRUJCJHPSA-N
Chemical Structure
2D Structure
2D structure of 8Beta-Hydroxy Naltrexone
CAS: 2139257-33-1
CID: 71749201
Formula: C20H23NO5
MW: 357.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP30.9
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 Count5
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
TRC-H783690-100MG8-Hydroxy Naltrexone
440293-018β-Hydroxy Naltrexone
165386N-Des (cyclopropylmethyl) 8β-Hydroxy Naltrexone
CS-ED-0048210-Hydroxy Naltrexone
TRC-H805055-1MG10Alpha-Hydroxy Naltrexone
TRC-H948540-0.5MG8Beta-Hydroxy Naltrexone
TRC-H805060-0.5MG10b-Hydroxy Naltrexone (~85%)
TRC-H948637-10MG10-Hydroxy Naltrexone-d3
RM-N122034-01Naltrexone Impurity 8
411737-0110β-Hydroxy Naltrexone discontinued

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