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Naltrexone EP Impurity F

CAT: 1299-RM-N201106-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N201106-01Size:10 mg
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CAS Number
2397651-97-5
Synonyms
(4R,4aS,7aR,12bS,13S) -3- (cyclopropylmethyl) -4a,9,13-trihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7 (7aH) -one
Molecular Formula
C20H23NO5
Molecular Weight
357.41
Target Alternative Name
Naltrexone
Product Name Synonym
(4R,4aS,7aR,12bS,13S) -3- (cyclopropylmethyl) -4a,9,13-trihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7 (7aH) -one

Chemical Information

10Alpha-Hydroxy Naltrexone
CAS Number2397651-97-5
PubChem CID96364545
IUPAC Name(4R,4aS,7aR,12bS,13S)-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]2[C@H](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+/m0/s1
InChIKey
SPLLFLBLAXVPPQ-AXDKOMKPSA-N
Chemical Structure
2D Structure
2D structure of 10Alpha-Hydroxy Naltrexone
CAS: 2397651-97-5
CID: 96364545
Formula: C20H23NO5
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
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 Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-N201110-01Naltrexone EP Impurity J
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IN172593-01Naltrexone impurity C
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IN167083-01Naltrexone impurity E
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IN167107-01Naltrexone impurity J

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