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Morphine EP Impurity B

CAT: 1596-AR-M03681-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M03681-02Size:25 Units
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CAS Number
125-24-6
Synonyms
7,7′,8,8′-tetradehydro-4,5α:4′,5′α-diepoxy-17,17′-dimethyl-2,2′-bimorphinanyl-3,3′,6α,6′α-tetrol (as per EP) ; 2,2′-bimorphine (EP) ; Morphine USP Related Compound B
Molecular Formula
C34H36N2O6
API Name
Morphine

Chemical Information

Pseudomorphine
CAS Number125-24-6
PubChem CID5488907
IUPAC Name(4R,4aR,7S,7aR,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular FormulaC34H36N2O6
Molecular Weight568.7
XLogP2.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count42
Formal Charge0
Complexity1140
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=CC(=C(C(=C52)O[C@H]3[C@H](C=C4)O)O)C6=C(C7=C8C(=C6)C[C@@H]9[C@H]1[C@]8(CCN9C)[C@@H](O7)[C@H](C=C1)O)O
InChI
InChI=1S/C34H36N2O6/c1-35-9-7-33-19-3-5-23(37)31(33)41-29-25(33)15(13-21(19)35)11-17(27(29)39)18-12-16-14-22-20-4-6-24(38)32-34(20,8-10-36(22)2)26(16)30(42-32)28(18)40/h3-6,11-12,19-24,31-32,37-40H,7-10,13-14H2,1-2H3/t19-,20-,21+,22+,23-,24-,31-,32-,33-,34-/m0/s1
InChIKey
FOJYFDFNGPRXDR-SQILNHJXSA-N
Chemical Structure
2D Structure
2D structure of Pseudomorphine
CAS: 125-24-6
CID: 5488907
Formula: C34H36N2O6
MW: 568.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.7
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass568.25733687
Monoisotopic Mass568.25733687
Topological Polar Surface Area106 Ų
Heavy Atom Count42
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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