Benzoic acid, 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, hydrochloride (1:1)

CAS Registry Number®

78718-25-9

CAS Name

Benzoic acid, 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, hydrochloride (1:1)

Molecular Formula

C23H27N3O4.ClH

Cite this Page

Benzoic acid, 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, hydrochloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78718-25-9 (retrieved 2024-11-22) (CAS RN: 78718-25-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    83 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1/C23H27N3O4.ClH/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17;/h1-9,16,18H,10-15H2,(H4,24,25,26);1H/t16-,18-;

InChIKey

InChIKey=ZNYYFCHDQJQKOK-AELULUIVNA-N

SMILES

C(OCC1=CC=CC=C1)(=O)C2=C(OC(=O)[C@H]3CC[C@H](CNC(=N)N)CC3)C=CC=C2.Cl

Canonical SMILES

Cl.O=C(OCC=1C=CC=CC1)C=2C=CC=CC2OC(=O)C3CCC(CNC(=N)N)CC3

Other Names for this Substance

  • Benzoic acid, 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, hydrochloride (1:1)
  • Benzoic acid, 2-[[[4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, monohydrochloride, trans-
  • Benzoic acid, 2-[[[trans-4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]oxy]-, phenylmethyl ester, monohydrochloride
  • TKG 01
  • Benexate hydrochloride

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