Fenoldopam mesylate

C17H20ClNO6SCAS 67227-57-0401.86 g/mol

SOOOHOHNHOHHOCl
Aryl halidePhenolSecondary amineSulfonic acid

Properties

Molecular formula
C17H20ClNO6S
Molar mass
401.86 g/mol
Exact mass
401.0700 Da
Melting point
274 °C (decomposes)
logP
2.24Crippen estimate
Polar surface area
127.1 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
1

Identifiers

CAS number
67227-57-0
SMILES
CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1
InChIKey
CVKUMNRCIJMVAR-UHFFFAOYSA-N
InChI
InChI=1S/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)

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Names and synonyms

6 names
  • 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, methanesulfonate (1:1)
  • 1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-, methanesulfonate (salt)
  • SKF 82526J
  • Fenoldopam methanesulfonate
  • Corlopam
  • Fenoldopam monomethanesulfonate

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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