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Chemical structure of Hydromorphone Hydrochloride
Alkaloids

Hydromorphone Hydrochloride

PHY-NP-10282 · Natural product research catalog

Catalog numberPHY-NP-10282
CAS number71-68-1
Molecular formulaC17H20ClNO3
Molecular weight321.804 g/mol
Chemical classAlkaloids
Purity / assayConfirmed in quotation and batch COA

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Product information

Hydromorphone Hydrochloride is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
SMILESCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4.Cl
InChIKeyXHILEZUETWRSHC-NRGUFEMZSA-N
Subclass / scaffoldTyrosine alkaloids:Isoquinoline alkaloids Morphinan alkaloids
PubChem CID5462347

Computed properties & structure classification

Exact mass (Da)321.1132Predicted LogP1.6303
Predicted TPSA (Ų)49.77H-bond donors1
H-bond acceptors4Rotatable bonds0
Ring count5Aromatic rings1
Fraction Csp³0.588Synthetic accessibility score4.99
QED score0.787Lipinski rule violations0
NPClassifier pathwayAlkaloidsNPClassifier superclassTyrosine alkaloids
NPClassifier classIsoquinoline alkaloids;Morphinan alkaloidsParent SMILESCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5
Parent formulaC17H19NO3Parent molecular weight285.343
Specified stereocenters4Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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