Basic information
- CAS
68254-48-8- Standard SMILES
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5=O- InChIKey
HNJBQZPKNKFLFM-CBEJNMEVSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Overview
decomposition product of morphine; structure given in first source; RN given refers to (5alpha,6alpha)-isomer
Names & identifiers
- Preferred name
- 10-Oxomorphine
- IUPAC
- (4S,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-1,2,4,4a,7,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-13-one
- English name
- 10-Oxo Morphine
- Molecular formula
- C17H17NO4
- Molecular weight
- 299.32
Names & synonyms
10-Oxomorphine68254-48-8A595AZE7AX10-KETOMORPHINEMorphinan-10-one, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methyl-, (5alpha,6alpha)-RefChem:7762710-Oxo Morphine10-Oxo Morphine (100?g/ml in Methanol)10-Oxo Morphine (1mg/ml in Acetonitrile)oxomorphine10-Oxomorphine; Morphinan-10-one, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methyl-, (5a,6a)-; 10-KetomorphineUNII-A595AZE7AX
Show more names
10-Oxomorphine solution10-Oxomorphine (10-Ketomorphine)10-Oxo Morphine (100μg/ml in Methanol)(5a,6a)-7,8-Didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-10-on(5a,6a)-7,8-Didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-10-oneMorphinan-10-one, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methyl-, (5α,6α)-
SCHEMBL427945SCHEMBL30238720DTXSID3098777410-Oxo Morphine (1 mg/ml in Acetonitrile)10-Oxo Morphine (100 ?g/ml in Methanol)3,6-Dihydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-10-one3,6alpha-Dihydroxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-10-one(4S,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-1,2,4,4a,7,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-13-one
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Boiling point
- 557 · 557.0±50.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- Flash point
- 9 ℃ · 9℃
- storage temp.
- -20 °C · -20°C
- pka
- 7.25 · 7.25±0.40(Predicted)
- form
- liquid
- Major Application
- forensics and toxicology
- InChI
- 1S/C17H17NO4/c1-18-7-6-17-9-3-5-11(20)16(17)22-15-10(19)4-2-8(12(15)17)14(21)13(9)18/h2-5,9,11,13,16,19-20H,6-7H2,1H3/t9-,11-,13-,16-,17-/m0/s1
- InChIKey
- HNJBQZPKNKFLFM-CBEJNMEVSA-N
- SMILES
- CN1CC[C@]23[C@H]4Oc5c(O)ccc(C(=O)[C@@H]1[C@@H]2C=C[C@@H]4O)c35
- FDA UNII
- 595 AZE7AX · A595AZE7AX
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS06,GHS08
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 2
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06,GHS08
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Storage Class
- 3 - Flammable liquids
- target organs
- Eyes
- Hazard statements
- H225-H301+H311+H331-H370
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- Precautionary statements
- P210-P280-P302+P352+P312-P304+P340+P312-P370+P378-P403+P235
Chemistry & industry
Applications
Uses10-Oxo Morphine is a decomposition product of Morphine (M652290). Morphine impurity. Controlled substance.
UsesControlled Substance. A decomposition product of Morphine
General DescriptionA certified solution standard of the decomposition product measured in manufactured morphine sulfate drug products or APIs using LC or LC/MS.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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