Pentacin

CAS Registry Number®

12111-24-9
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CAS Name

Pentacin

Molecular Formula

C14H18CaN3O10.3Na

Cite this Page

Pentacin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12111-24-9 (retrieved 2024-05-07) (CAS RN: 12111-24-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H23N3O10.Ca.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;+2;3*+1/p-5

InChIKey

InChIKey=AYFCVLSUPGCQKD-UHFFFAOYSA-I

SMILES

C(C([O-])=O)[N]12[Ca+2]345([N](CC1)(CC(=O)[O-]3)CC(=O)[O-]4)[N](CC([O-])=O)(CC2)CC(=O)[O-]5.[Na+]

Canonical SMILES

[Na+].O=C([O-])C[N]12CC(=O)[O-][Ca+2]3452[O-]C(=O)C[N]5(CC(=O)[O-]3)CC[N]4(CC(=O)[O-])CC1

Other Names for this Substance

  • Calciate(3-), [N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]-N-[2-[[(carboxy-κO)methyl](carboxymethyl)amino-κN]ethyl]glycinato(5-)-κN]-, sodium (1:3)
  • Calciate(3-), [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, trisodium
  • Calciate(3-), [N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]-N-[2-[[(carboxy-κO)methyl](carboxymethyl)amino-κN]ethyl]glycinato(5-)-κN]-, trisodium
  • Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, calcium complex
  • Calcium trisodium diethylenetriaminepentaacetate

View All

Deleted or Replaced CAS Registry Numbers

62-34-0, 1282-74-2, 1317-31-3, 1337-58-2, 3089-92-7, 6139-48-6, 11070-37-4, 12001-88-6, 12153-86-5, 12242-50-1, 12257-43-1, 17034-67-2, 19632-02-1, 35284-67-4, 50884-26-9, 51681-43-7, 62796-80-9, 211115-31-0, 215297-13-5, 1016558-87-4, 1058981-05-7

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