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Substance Name: 1-Adamantanamine citrate, monohydrate
RN: 102395-13-1
InChIKey: JOHUDFNPAHHBSG-UHFFFAOYSA-N

Molecular Formula

  • C10-H17-N.C6-H8-O7.H2-O

Molecular Weight

  • 361.3883
 
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Names and Synonyms

Synonym

  • 1-Aminoadamantane citrate monohydrate

Systematic Name

  • 1-Adamantanamine citrate, monohydrate

Registry Numbers

CAS Registry Number

  • 102395-13-1

System Generated Number

  • 0102395131

Molecular Formulas

Molecular Formula

  • C10-H17-N.C6-H8-O7.H2-O

Molecular Formula Fragments

  • C10-H17-N
  • C6-H8-O7
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C10H17N.C6H8O7.H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;7-3(8)1-6(13,5(11)12)2-4(9)10;/h7-9H,1-6,11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2

InChIKey

JOHUDFNPAHHBSG-UHFFFAOYSA-N

Smiles

O.NC12CC3CC(CC(C3)C1)C2.OC(=O)CC(O)(CC(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07079,