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Substance Name: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(3-pyrrolidinylthio)-, (5S-(5-alpha,6-beta(S*)))-
RN: 86063-67-4
InChIKey: BDOFXGSQITZDDB-JEEOTMLNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O4-S

Molecular Weight

  • 298.3612
 
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Names and Synonyms

  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(3-pyrrolidinylthio)-, (5S-(5-alpha,6-beta(S*)))-

Registry Numbers

CAS Registry Number

  • 86063-67-4

System Generated Number

  • 0086063674

Structure Descriptors

InChI

1S/C13H18N2O4S/c1-6(16)10-8-4-9(20-7-2-3-14-5-7)11(13(18)19)15(8)12(10)17/h6-8,10,14,16H,2-5H2,1H3,(H,18,19)/t6?,7-,8+,10+/m1/s1

InChIKey

BDOFXGSQITZDDB-JEEOTMLNSA-N

Smiles

CC([C@H]1[C@@H]2CC(=C(N2C1=O)C(=O)O)S[C@@H]3CCNC3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 196ug/kg (0.196mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 1983, 1992.