Dehydroemetine (+-)-form dihydrochloride

Base Information

• Chemical Name: Dehydroemetine (+-)-form dihydrochloride
• CAS No.: 14358-43-1
• Molecular Formula: C29H38 N2 O4 . 2 Cl H
• Molecular Weight: 478.623
• European Community (EC) Number: 222-013-2,238-326-2
• NSC Number: 129414
• UNII: 4194D823Y6
• DSSTox Substance ID: DTXSID60162471
• Wikidata: Q27258422
• ChEMBL ID: CHEMBL1977229
• Mol file: 14358-43-1.mol

Synonyms:dehydroemetine;dehydroemetine hydrochloride

Chemical Property of Dehydroemetine (+-)-form dihydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 514.2598354
• Heavy Atom Count: 36
• Complexity: 744

Purity/Quality:

98%min ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC(=C(C=C5CCN4)OC)OC.Cl
• Isomeric SMILES: CCC1=C(C[C@H]2C3=CC(=C(C=C3CCN2C1)OC)OC)C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC.Cl

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