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Substance Name: Xylamidine tosylate hemihydrate
RN: 13717-05-0
UNII: 3Z1VNM4T7B
InChIKey: FKFRSAWYMDRWMY-UHFFFAOYSA-N

Molecular Formula

  • 2C19-H24-N2-O2.2C7-H8-O3-S.H2-O

Molecular Weight

  • 987.2424
 
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Names and Synonyms

Name of Substance

  • Xylamidine tosylate hemihydrate

Synonyms

  • Benzeneethanimidamide, N-(2-(3-methoxyphenoxy)propyl)-3-methyl-, 4-methylbenzenesulfonate, hydrate (2:2:1)
  • N-(2-(m-Methoxyphenoxy)propyl)-2-m-tolylacetamidine mono-p-toluenesulfonate hemihydrate
  • N-(2-(m-Methoxyphenoxy)propyl)-2-m-tolylacetamidine mono-p-toluenesulphonate hemihydrate
  • UNII-3Z1VNM4T7B
  • Xylamidine tosilate hemihydrate
  • Xylamidine tosylate hemihydrate
  • Xylamidine tosylate hemihydrate [WHO-DD]

Registry Numbers

CAS Registry Number

  • 13717-05-0

FDA UNII

  • 3Z1VNM4T7B

System Generated Number

  • 0013717050

Structure Descriptors

InChI

1S/2C19H24N2O2.2C7H8O3S.H2O/c2*1-14-6-4-7-16(10-14)11-19(20)21-13-15(2)23-18-9-5-8-17(12-18)22-3;2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*4-10,12,15H,11,13H2,1-3H3,(H2,20,21);2*2-5H,1H3,(H,8,9,10);1H2

InChIKey

FKFRSAWYMDRWMY-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.Cc1cccc(c1)CC(=N)NCC(C)Oc2cccc(c2)OC.Cc1cccc(c1)CC(=N)NCC(C)Oc2cccc(c2)OC.O