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Substance Name: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((((4-octyl-2,3-dioxo-1-piperazinyl)carboxyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-
RN: 59703-98-9
InChIKey: LHDZVTZAWUYESA-BLVHCSCLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H39-N5-O7-S

Molecular Weight

  • 601.7211
 
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Names and Synonyms

Synonyms

  • 6-(D-(-)-alpha-(4-Octyl-2,3-dioxo-1-piperazinecarboxamido)phenylacetamido)penicillanic acid
  • BRN 1066231
  • T 1213

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 59703-98-9

System Generated Number

  • 0059703989

Structure Descriptors

InChI

1S/C29H39N5O7S/c1-4-5-6-7-8-12-15-32-16-17-33(25(38)24(32)37)28(41)31-19(18-13-10-9-11-14-18)22(35)30-20-23(36)34-21(27(39)40)29(2,3)42-26(20)34/h9-11,13-14,19-21,26H,4-8,12,15-17H2,1-3H3,(H,30,35)(H,31,41)(H,39,40)/t19?,20?,21-,26+/m0/s1

InChIKey

LHDZVTZAWUYESA-BLVHCSCLSA-N

Smiles

CCCCCCCCN1CCN(C(=O)C1=O)C(=O)NC(c2ccccc2)C(=O)NC3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 300mg/kg (300mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 987, 1977.