Registration Dossier

General information

Inventory

EC number:
251-561-5
EC name:
(5α)-4,5-epoxy-3,14-dihydroxymorphinan-6-one
CAS number:
33522-95-1

No inventory information available

Reference substance information

IUPAC name:
(1S,5R,13R,17S)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one
Synonyms
Names:
Identifier:
CAS number
33522-95-1
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
(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: 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

CAS information

CAS number:
33522-95-1

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