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Morphine Impurity 4

CAT: 1299-RM-M180904-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M180904-01Size:10 mg
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CAS Number
339525-94-9
Synonyms
(4R,4aR,7aR,12bS) -5,9-dihydroxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7 (7aH) -one
Molecular Formula
C17H19NO4
Molecular Weight
301.34
Target Alternative Name
Morphine
Product Name Synonym
(4R,4aR,7aR,12bS) -5,9-dihydroxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7 (7aH) -one

Chemical Information

8-Hydroxyhydromorphone
CAS Number339525-94-9
PubChem CID71587704
IUPAC Name(4R,4aR,7aR,12bS)-5,9-dihydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular FormulaC17H19NO4
Molecular Weight301.34
XLogP0.9
Topological Polar Surface Area70
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity525
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4O
InChI
InChI=1S/C17H19NO4/c1-18-5-4-17-13-8-2-3-10(19)15(13)22-16(17)12(21)7-11(20)14(17)9(18)6-8/h2-3,9,11,14,16,19-20H,4-7H2,1H3/t9-,11?,14-,16+,17-/m1/s1
InChIKey
HKUBHNBSWVSAAH-IPHHTLHHSA-N
Chemical Structure
2D Structure
2D structure of 8-Hydroxyhydromorphone
CAS: 339525-94-9
CID: 71587704
Formula: C17H19NO4
MW: 301.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight301.34
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass301.13140809
Monoisotopic Mass301.13140809
Topological Polar Surface Area70 Ų
Heavy Atom Count22
Formal Charge0
Complexity525
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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