5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-

CAS Registry Number®

67763-91-1
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CAS Name

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-

Molecular Formula

C17H15Cl2N3O7S.Na

Cite this Page

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67763-91-1 (retrieved 2024-05-16) (CAS RN: 67763-91-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H15Cl2N3O7S.Na/c1-7(23)29-5-8-6-30-16-12(15(26)22(16)13(8)17(27)28)20-11(24)4-21-2-9(18)14(25)10(19)3-21;/h2-3,12,16H,4-6H2,1H3,(H,20,24)(H,27,28);/t12-,16-;/m1./s1

InChIKey

InChIKey=SZULXMHDXHHYKS-VQZRABBESA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@H](NC(CN3C=C(Cl)C(=O)C(Cl)=C3)=O)C2=O)(SCC1COC(C)=O)[H].[Na]

Canonical SMILES

[Na].O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)CN3C=C(Cl)C(=O)C(Cl)=C3

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(3,5-dichloro-4-oxo-1(4H)-pyridinyl)acetyl]amino]-8-oxo-, monosodium salt, (6R-trans)-
  • EMD 29645

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