Esomeprazole magnesium

CAS Registry Number®

161973-10-0
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CAS Name

Esomeprazole magnesium

Molecular Formula

C34H36MgN6O6S2

Cite this Page

Esomeprazole magnesium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=161973-10-0 (retrieved 2024-04-24) (CAS RN: 161973-10-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2

InChIKey

InChIKey=KWORUUGOSLYAGD-UHFFFAOYSA-N

SMILES

C(S1=O[Mg+2]2([N]3=C(S(CC4=C(C)C(OC)=C(C)C=N4)=O2)[N-]C=5C3=CC=C(OC)C5)[N]6=C1[N-]C=7C6=CC=C(OC)C7)C8=C(C)C(OC)=C(C)C=N8

Canonical SMILES

N=1C=C(C(OC)=C(C1CS2=O[Mg+2]3(O=S(C=4[N-]C=5C=C(OC)C=CC5[N]43)CC6=NC=C(C(OC)=C6C)C)[N]7=C2[N-]C=8C=C(OC)C=CC87)C)C

Other Names for this Substance

  • Magnesium, bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-κO]-1H-benzimidazolato-κN3]-, (T-4)-
  • Magnesium, bis[5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazolato]-, [T-4-(S),(S)]-
  • (T-4)-Bis[6-methoxy-2-[(S)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl-κO]-1H-benzimidazolato-κN3]magnesium
  • Esomeprazole magnesium
  • H 199/18

Deleted or Replaced CAS Registry Numbers

302841-07-2, 320416-93-1, 371759-50-1, 372519-57-8, 376628-34-1, 502497-87-2, 870780-01-1, 202742-32-3, 922731-05-3

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