Basic information
- CAS
57-29-4- Standard SMILES
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.Cl- InChIKey
NAHATSPWSULUAA-ZQGPYOJVSA-N- Molecular formula
- C19H22ClNO3
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.1288213
Overview
See also: Nalorphine (has active moiety).
Names & identifiers
- Preferred name
- Nalorphine Hydrochloride
- IUPAC
- (4R,4aR,7S,7aR,12bS)-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;hydrochloride
Names & synonyms
Nalorphine hydrochloride57-29-4Nalorphine HClDTXSID30478479FPE56Z2TWNalorphine hydrochloride ciiiNalorphine hydrochloride (USP)Nalorphine hydrochloride [USP]DTXCID3027825RefChem:164458200-321-8Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propenyl)-, hydrochloride, (5alpha,6alpha)-
Show more names
Nalorphine.HCl17-Allyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol hydrochlorideDEA No. 9400Miromorfalil(4R,4aR,7S,7aR,12bS)-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;hydrochlorideN-Allylnormorphine hydrochlorideAllylmorphine hydrochlorideNCGC00168255-01
Database identifiers
- CAS
57-29-4- PubChem CID
- 5484366
- DTXSID
DTXSID3047847- ChEMBL
CHEMBL1908349- UNII
- 9FPE56Z2TW
- EC Number
- 200-321-8
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 549
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationMorphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propenyl)-, hydrochloride, (5.alpha.,6.alpha.)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propenyl)-, hydrochloride, (5.alpha.,6.alpha.)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents inhibiting the effect of narcotics on the central nervous system.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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