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Substance Name: L-Aspoxicillin trihydrate
RN: 63358-51-0
InChIKey: ATPVSNJCPGPJGO-XUXOXWKISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N5-O7-S.3H2-O

Molecular Weight

  • 493.5383
 
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Names and Synonyms

Results Name

  • L-Aspoxicillin trihydrate

Synonyms

  • ASPC
  • L-Aspoxicillin trihydrate

Systematic Name

  • Glycinamide, N-methyl-L-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 63358-51-0

System Generated Number

  • 0063358510

Molecular Formulas

Molecular Formula

  • C21-H27-N5-O7-S.3H2-O

Molecular Formula Fragments

  • C21-H27-N5-O7-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)24-13(9-4-6-10(27)7-5-9)17(30)25-16(29)11(23-3)8-12(22)28/h4-7,11,13-15,19,23-24,27H,8H2,1-3H3,(H2,22,28)(H,32,33)(H,25,29,30)/t11-,13-,14?,15?,19?/m0/s1

InChIKey

ATPVSNJCPGPJGO-XUXOXWKISA-N

Smiles

CN[C@@H](CC(=O)N)C(=O)NC(=O)[C@@H](NC1C2SC(C)(C)C(N2C1=O)C(=O)O)c3ccc(O)cc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5475mg/kg (5475mg/kg)   Japanese Journal of Antibiotics. Vol. 40, Pg. 1221, 1987.