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Substance Name: (+)-2-beta-Tropan-2-ol, diphenylglycolate, hydrate
RN: 74111-87-8
InChIKey: MGAXFBUJCGTCBM-SFZWVAMRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N-O3.H2-O

Molecular Weight

  • 369.4583
 
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Names and Synonyms

  • (+)-2-beta-Tropan-2-ol, diphenylglycolate, hydrate

Registry Numbers

CAS Registry Number

  • 74111-87-8

System Generated Number

  • 0074111878

Molecular Formulas

Molecular Formula

  • C22-H25-N-O3.H2-O

Molecular Formula Fragments

  • C22-H25-N-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H25NO3.H2O/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-20,25H,12-15H2,1H3;1H2/t18-,19+,20+;/m1./s1

InChIKey

MGAXFBUJCGTCBM-SFZWVAMRSA-N

Smiles

O.CN1[C@H]2CC[C@H](OC(=O)C(O)(c3ccccc3)c4ccccc4)[C@@H]1CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1612, 1977.