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Substance Name: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)thio)-6-(1-methylethyl)-7-oxo-, triphenylmethyl ester
RN: 72614-91-6
InChIKey: HUZLMMXJPYUKJE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H34-N2-O4-S

Molecular Weight

  • 554.7076
 
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Names and Synonyms

Synonym

  • Antibiotic PS 6 trityl ester

Systematic Name

  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-(acetylamino)ethyl)thio)-6-(1-methylethyl)-7-oxo-, triphenylmethyl ester

Registry Numbers

CAS Registry Number

  • 72614-91-6

System Generated Number

  • 0072614916

Structure Descriptors

InChI

1S/C33H34N2O4S/c1-22(2)29-27-21-28(40-20-19-34-23(3)36)30(35(27)31(29)37)32(38)39-33(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,22,27,29H,19-21H2,1-3H3,(H,34,36)

InChIKey

HUZLMMXJPYUKJE-UHFFFAOYSA-N

Smiles

CC(C)C1C2CC(=C(N2C1=O)C(=O)OC(c3ccccc3)(c4ccccc4)c5ccccc5)SCCNC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #79-59295,