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Reference substances

Reference substances

IUPAC name:
3,14-dihydroxy-17-methyl-4,5-epoxymorphinan-6-one

Inventory

EC number:
200-959-7
EC name:
Oxymorphone
CAS number:
76-41-5
CAS number:
76-41-5
Synonyms
Names:
Identifier:
IUPAC name
(1S,5R,13R,17S)-10,17-dihydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-14-one
Identifier:
other: InChl
InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1

Molecular and structural information

Molecular formula:
C17H19NO4
Molecular weight:
301.337
SMILES notation:
CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35
InChl:
InChI=1/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3
Structural formula:
Chemical structure

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