(αS)-7-(Aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-2-naphthalenepropanoic acid hydrochloride hydrate (1:1:5)

CAS Registry Number®

155204-81-2

CAS Name

(αS)-7-(Aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-2-naphthalenepropanoic acid hydrochloride hydrate (1:1:5)

Molecular Formula

C26H28N4O3.ClH.5H2O

Cite this Page

(αS)-7-(Aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-2-naphthalenepropanoic acid hydrochloride hydrate (1:1:5).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=155204-81-2 (retrieved 2024-10-05) (CAS RN: 155204-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H28N4O3.ClH.5H2O/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17;;;;;;/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32);1H;5*1H2/t23-,24-;;;;;;/m0....../s1

InChIKey

InChIKey=LJCBAPRMNYSDOP-LVCYMWGESA-N

SMILES

C([C@H](C(O)=O)C1=CC=C(O[C@@H]2CN(C(C)=N)CC2)C=C1)C3=CC4=C(C=C3)C=CC(C(=N)N)=C4.Cl.O

Canonical SMILES

Cl.O=C(O)C(C1=CC=C(OC2CN(C(=N)C)CC2)C=C1)CC=3C=CC4=CC=C(C=C4C3)C(=N)N.O

Other Names for this Substance

  • 2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-, hydrochloride, hydrate (1:1:5), (αS)-
  • 2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-α-[4-[[1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-, monohydrochloride, pentahydrate, [S-(R*,R*)]-
  • 2-Naphthalenepropanoic acid, 7-(aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-, monohydrochloride, pentahydrate, (αS)-
  • (αS)-7-(Aminoiminomethyl)-α-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]-2-naphthalenepropanoic acid hydrochloride hydrate (1:1:5)
  • DX 9065a

CAS INSIGHTSTM
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