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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((((4-methyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-
RN: 59723-60-3
InChIKey: JVLJGXUDTPNXKM-YXAHYYACSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N5-O7-S

Molecular Weight

  • 503.5335
 
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Names and Synonyms

Synonyms

  • 6-(D-(-)-alpha-(4-Methyl-2,3-dioxo-1-piperazinecarboxamido)phenylacetamido)penicillanic acid
  • BRN 1235549
  • T 1187

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((((4-methyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-

Registry Numbers

CAS Registry Number

  • 59723-60-3

System Generated Number

  • 0059723603

Structure Descriptors

InChI

1S/C22H25N5O7S/c1-22(2)14(20(32)33)27-16(29)13(19(27)35-22)23-15(28)12(11-7-5-4-6-8-11)24-21(34)26-10-9-25(3)17(30)18(26)31/h4-8,12-14,19H,9-10H2,1-3H3,(H,23,28)(H,24,34)(H,32,33)/t12?,13-,14+,19-/m1/s1

InChIKey

JVLJGXUDTPNXKM-YXAHYYACSA-N

Smiles

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)NC(=O)N4CCN(C(=O)C4=O)C)C(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4gm/kg (4000mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 987, 1977.