Registration Dossier
Registration Dossier
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EC number: 251-561-5 | CAS number: 33522-95-1
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:
Related substances
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