Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
(5α)-4,5-epoxy-3,14-dihydroxymorphinan-6-one

Inventory

EC number:
251-561-5
EC name:
(5α)-4,5-epoxy-3,14-dihydroxymorphinan-6-one
CAS number:
33522-95-1
CAS number:
33522-95-1
Synonyms
Names:
Identifier:
IUPAC name
(1S,5R,13R,17S)- 10,17-dihydroxy- 12-oxa- 4-azapentacyclo [9.6.1.01,13.05,17.07,18] octadeca- 7(18),8,10-trien- 14-one
Identifier:
IUPAC name
(4R,4aS,12bS)-4a,9-dihydroxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Identifier:
IUPAC name
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-2,3,4,4a,5,6-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-one
Identifier:
IUPAC name
(5α)-4,5-epoxy-3,14-dihydroxymorphinan-6-one
Identifier:
other: InChl
1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1
Identifier:
other: InChl
InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1
Identifier:
other: InChl
InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14?,15+,16-/m1/s1
Identifier:
other: SMILES notation
O=C(CC1)[C@H]2[C@@]3([C@]1(O)[C@H](NCC3)C4)C5=C4C=CC(O)=C5O2
Identifier:
other: SMILES notation
Oc1ccc2C[C@H]3NCC[C@@]45C(Oc1c24)C(=O)CC[C@@]35O
Identifier:
other: SMILES notation
c1cc(c2c3c1C[C@@H]4[C@] 5([C@]3(CCN4)[C@@H] (O2)C(=O)CC5)O)O
Identifier:
other: SMILES notation
c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)CC5)O)O
3,14-dihydroxy-4,5-epoxymorphinan-6-one

Molecular and structural information

Molecular formula:
C16H17NO4
Molecular weight:
287.31
SMILES notation:
Oc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
InChl:
InChI=1/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2
Structural formula:
Chemical structure

Related substances