Phentolamine methanesulfonate

CAS Registry Number®

65-28-1

CAS Name

Phentolamine methanesulfonate

Molecular Formula

C17H19N3O.CH4O3S

Cite this Page

Phentolamine methanesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65-28-1 (retrieved 2024-11-24) (CAS RN: 65-28-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    177-181 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)

InChIKey

InChIKey=OGIYDFVHFQEFKQ-UHFFFAOYSA-N

SMILES

S(C)(=O)(=O)O.N(CC=1NCCN1)(C2=CC(O)=CC=C2)C3=CC=C(C)C=C3

Canonical SMILES

O=S(=O)(O)C.OC1=CC=CC(=C1)N(C2=CC=C(C=C2)C)CC3=NCCN3

Other Names for this Substance

  • Phenol, 3-[[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]-, methanesulfonate (1:1)
  • Phenol, m-[N-(2-imidazolin-2-ylmethyl)-p-toluidino]-, monomethanesulfonate (salt)
  • Phenol, 3-[[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]-, monomethanesulfonate (salt)
  • m-[N-(2-Imidazolin-2-ylmethyl)-p-toluidino]phenol methanesulfonate
  • Phentolamine mesylate

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Deleted or Replaced CAS Registry Numbers

252228-09-4

CAS INSIGHTSTM
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