4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-carboxy-2-(3-thienyl)acetyl]amino]-6-methoxy-3,3-dimethyl-7-oxo-, sodium salt (1:2), (2S,5R,6S)-

CAS Registry Number®

61545-06-0
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CAS Name

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-carboxy-2-(3-thienyl)acetyl]amino]-6-methoxy-3,3-dimethyl-7-oxo-, sodium salt (1:2), (2S,5R,6S)-

Molecular Formula

C16H18N2O7S2.2Na

Cite this Page

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-carboxy-2-(3-thienyl)acetyl]amino]-6-methoxy-3,3-dimethyl-7-oxo-, sodium salt (1:2), (2S,5R,6S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61545-06-0 (retrieved 2024-07-03) (CAS RN: 61545-06-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H18N2O7S2.2Na/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7;;/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23);;/t8?,9-,14+,16-;;/m0../s1

InChIKey

InChIKey=OSEDEUJPFFVLKH-CWBCWDDISA-N

SMILES

N(C(C(C(O)=O)C=1C=CSC1)=O)[C@@]2(OC)[C@@]3(N(C2=O)[C@@H](C(O)=O)C(C)(C)S3)[H].[Na]

Canonical SMILES

[Na].O=C(O)C(C(=O)NC1(OC)C(=O)N2C1SC(C)(C)C2C(=O)O)C3=CSC=C3

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[2-carboxy-2-(3-thienyl)acetyl]amino]-6-methoxy-3,3-dimethyl-7-oxo-, sodium salt (1:2), (2S,5R,6S)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(carboxy-3-thienylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-, disodium salt, [2S-(2α,5α,6α)]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(carboxy-3-thienylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-, disodium salt, (2S,5R,6S)-
  • BRL 17421
  • Antibiotic BRL 17421

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