4,7-seco-Doripenem Disodium Salt(Mixture of double bond isomers)

CAS: 1222629-57-3

Ref. TR-D534805

Product Information

• Name: 4,7-seco-Doripenem Disodium Salt(Mixture of double bond isomers)
• Synonyms: 4,7-seco-Doripenem disodium salt, (aS,2S,3R)-4-[[(3S,5S)-5-[[(Aminosulfonyl)amino]methyl]-3-pyrrolidinyl]thio]-5-carboxy-2,3(3,4)-dihydro-a-[(1R)-1-hydroxyethyl]-3-methyl-1H(2H)-pyrrole-2-acetic acid disodium salt, (4R,5S)-5-[(1S,2R)-1-Carboxy-2-hydroxypropyl]-4-methyl-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-ylthio]-4,5-dihydro-1H(3H)-pyrrole-2-carboxylic acid disodium salt

Description

Stability Hygroscopic
Applications 4,7-seco-Doripenem Disodium Salt, is an impurity of Doripenem (D534800), an antibacterial agent.
References Clabots, C., et al.: J. Clin. Microbiol., 31, 1870 (1993), Anton, P., et al.: Antimicrob. Agents Chemother., 48, 3975 (2004), Freeman, J., et al.: J. Antimicrob. Chemother., 56, 717 (2005), Musher, D., et al.: Clin. Infect. Dis., 43, 421 (2006),

• Brand: TRC

Chemical properties

• Molecular weight: 482.48
• Formula: C₁₅H₂₄N₄O₇S₂· 2Na
• Color/Form: Neat
• InChI: InChI=1S/2C15H26N4O7S2.4Na/c2*1-6-11(10(7(2)20)14(21)22)19-12(15(23)24)13(6)27-9-3-8(17-5-9)4-18-28(16,25)26;;;;/h6-11,17-20H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H2,16,25,26);6-11,13,17-18,20H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H2,16,25,26);;;;/q;;4*+1/p-4/t6-,7-,8+,9+,10-,11-;6-,7-,8+,9+,10-,11-,13?;;;;/m11..../s1
• SMILES: C[C@@H](O)[C@@H](C(=O)O[Na])[C@@H]1NC(C(=O)O[Na])=C(S[C@@H]2CN[C@@H](CNS(N)(=O)=O)C2)[C@@H]1C.C[C@H]1C(S[C@@H]2CN[C@@H](CNS(N)(=O)=O)C2)C(C(=O)O[Na])=N[C@H]1[C@H+](C(=O)O[Na])[C@@H](C)O