Tomopenem

CAS Registry Number®

222400-20-6

CAS Name

Tomopenem

Molecular Formula

C23H35N7O6S

Molecular Mass

537.63

Cite this Page

Tomopenem.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=222400-20-6 (retrieved 2024-11-23) (CAS RN: 222400-20-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235-250 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H35N7O6S/c1-10-17-16(11(2)31)21(34)30(17)18(22(35)36)19(10)37-13-6-14(28(3)9-13)20(33)29-5-4-12(8-29)27-15(32)7-26-23(24)25/h10-14,16-17,31H,4-9H2,1-3H3,(H,27,32)(H,35,36)(H4,24,25,26)/t10-,11-,12+,13+,14+,16-,17-/m1/s1

InChIKey

InChIKey=KEDAXBWZURNCHS-GPODMPQUSA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@H]3C[C@@H](C(=O)N4C[C@@H](NC(CNC(=N)N)=O)CC4)N(C)C3)[H]

Canonical SMILES

O=C(O)C1=C(SC2CN(C)C(C(=O)N3CCC(NC(=O)CNC(=N)N)C3)C2)C(C)C4N1C(=O)C4C(O)C

Other Names for this Substance

  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(3S)-3-[[2-[(aminoiminomethyl)amino]acetyl]amino]-1-pyrrolidinyl]carbonyl]-1-methyl-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(3S)-3-[[[(aminoiminomethyl)amino]acetyl]amino]-1-pyrrolidinyl]carbonyl]-1-methyl-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)-
  • (4R,5S,6S)-3-[[(3S,5S)-5-[[(3S)-3-[[2-[(Aminoiminomethyl)amino]acetyl]amino]-1-pyrrolidinyl]carbonyl]-1-methyl-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • R 115685
  • Tomopenem

View All

Deleted or Replaced CAS Registry Numbers

634602-79-2

CAS INSIGHTSTM
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