Pseudomorphine

HCID 5488907

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Basic information

CAS: 125-24-6
Standard SMILES: CN1CC[C@]23c4c5cc(-c6cc7c8c(c6O)O[C@H]6[C@@H](O)C=C[C@H]9[C@@H](C7)N(C)CC[C@@]896)c(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
InChIKey: FOJYFDFNGPRXDR-SQILNHJXSA-N
Molecular formula: C34H36N2O6
Average molar mass: 568.7 g/mol
Monoisotopic mass: 568.25733687

Names & identifiers

Preferred name: Pseudomorphine
IUPAC: (4R,4aR,7S,7aR,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

Names & synonyms

Pseudomorphine125-24-62,2'BimorphineAEZ78QX2G7(2,2'-Bimorphinan)-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5alpha,6alpha)-(5'alpha,6'alpha)-RefChem:176956OxydimorphinePseudo Morphine (Morphine Impurity)2,2'-Bimorphine(4R,4aR,7S,7aR,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol2,2'-DehydrobimorphineUNII-AEZ78QX2G7

Show more names

PseudomorphinPseudo Morphine (Morphine Impurity) (1mg/ml in Acetonitrile)Pseudomorphine (C34 alkaloid)PSEUDOMORPHINE [MI]SCHEMBL530865SCHEMBL29454946DTXSID50924984NS00113823

Database identifiers

CAS: 125-24-6
PubChem CID

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 106 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 42
Formal charge: 0
Complexity: 1,140

Experimental & physicochemical properties

DrugsDEA NFLIS-Drug Category -> Narcotics

Endocrine DisruptorsPotential endocrine disrupting compound

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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

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Compound notes

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