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Substance Name: SM 306
RN: 337-78-0
InChIKey: PSHLQULLWWMXKF-FNDZYHSKSA-L

Molecular Formula

  • C46-H54-N2-O4.2Br

Molecular Weight

  • 858.7506
 
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Names and Synonyms

Results Name

  • SM 306

Synonyms

  • Biphenylen-(4,4')-bis-methyl-(3-alpha-phenylacetoxy)-tropaniumbromid
  • Biphenylen-(4,4')-bis-methyl-(3-alpha-phenylacetoxy)-tropaniumbromid [German]
  • SM 306

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropanium, 4,4'-biphenylenebis(3-alpha-hydroxy-8-methyl-, dibromide, benzylcarbonate (ester)

Registry Numbers

CAS Registry Number

  • 337-78-0

System Generated Number

  • 0000337780

Molecular Formulas

Molecular Formula

  • C46-H54-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C46-H54-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C46H54N2O4.2BrH/c1-47(2)37-23-25-39(47)45(41(29-37)51-43(49)27-31-11-7-5-8-12-31)35-19-15-33(16-20-35)34-17-21-36(22-18-34)46-40-26-24-38(48(40,3)4)30-42(46)52-44(50)28-32-13-9-6-10-14-32;;/h5-22,37-42,45-46H,23-30H2,1-4H3;2*1H/q+2;;/p-2/t37-,38-,39-,40+,41-,42+,45?,46?;;/m1../s1

InChIKey

PSHLQULLWWMXKF-FNDZYHSKSA-L

Smiles

C[N+]1([C@@H]2CC[C@@H]1C([C@@H](C2)OC(=O)Cc3ccccc3)c4ccc(cc4)c5ccc(cc5)C6[C@@H]7CC[C@@H]([N+]7(C)C)C[C@@H]6OC(=O)Cc8ccccc8)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75ug/kg (0.075mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 130, 1965.