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Substance Name: Atropine O-(hydrogen sulphate)
RN: 5226-98-2
InChIKey: GMLBHJMTVBLXLJ-UHFFFAOYSA-N

Molecular Formula

  • C17-H23-N-O6-S

Molecular Weight

  • 369.436
 
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Names and Synonyms

Synonym

  • EINECS 226-026-4

Systematic Names

  • Atropine O-(hydrogen sulphate)
  • Benzeneacetic acid, alpha-((sulfooxy)methyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-

Registry Numbers

CAS Registry Number

  • 5226-98-2

System Generated Number

  • 0005226982

Structure Descriptors

InChI

1S/C17H23NO6S/c1-18-13-7-8-14(18)10-15(9-13)24-17(19)16(11-23-25(20,21)22)12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3,(H,20,21,22)

InChIKey

GMLBHJMTVBLXLJ-UHFFFAOYSA-N

Smiles

C1[C@@H](C[C@@H]2CC[C@@H]1N2C)OC([C@@H](c1ccccc1)COS(O)(=O)=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.440 (none)   EST
Water Solubility 1.00E+04 mg/L 30 EXP
Atmospheric OH Rate Constant 5.83E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.