Penicillin N

CAS Registry Number®

525-94-0
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CAS Name

Penicillin N

Molecular Formula

C14H21N3O6S

Molecular Mass

359.40

Cite this Page

Penicillin N.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=525-94-0 (retrieved 2024-06-26) (CAS RN: 525-94-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8-,9+,11-/m1/s1

InChIKey

InChIKey=MIFYHUACUWQUKT-GPUHXXMPSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CCC[C@H](C(O)=O)N)=O)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C(N)CCCC(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • Cephalosporin N
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(5-amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-, D-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(5-amino-5-carboxy-1-oxopentyl)amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(D-5-amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-

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Deleted or Replaced CAS Registry Numbers

7179-38-6, 15302-02-0, 892144-10-4

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