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Substance Name: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(4-piperidinylthio)-, (4R-(4-alpha,5-beta,6-beta(R*)))-
RN: 102906-54-7
InChIKey: JLTWSVCXBOMIAI-ZUCSDGAKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N2-O4-S

Molecular Weight

  • 326.4148
 
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Names and Synonyms

  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-(4-piperidinylthio)-, (4R-(4-alpha,5-beta,6-beta(R*)))-

Registry Numbers

CAS Registry Number

  • 102906-54-7

System Generated Number

  • 0102906547

Structure Descriptors

InChI

1S/C15H22N2O4S/c1-7-11-10(8(2)18)14(19)17(11)12(15(20)21)13(7)22-9-3-5-16-6-4-9/h7-11,16,18H,3-6H2,1-2H3,(H,20,21)/t7-,8-,10?,11-/m1/s1

InChIKey

JLTWSVCXBOMIAI-ZUCSDGAKSA-N

Smiles

C[C@@H]1[C@@H]2C(C(=O)N2C(=C1SC3CCNCC3)C(=O)O)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 96ug/kg (0.096mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 1983, 1992.