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Substance Name: Glycinamide, N-(1-methylethyl)-D-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))-
RN: 63341-26-4
InChIKey: XAZSMWIDUGCZBG-IKXCUYCQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N5-O7-S.3H2-O

Molecular Weight

  • 521.5919
 
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Names and Synonyms

  • Glycinamide, N-(1-methylethyl)-D-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

  • 63341-26-4

System Generated Number

  • 0063341264

Molecular Formulas

Molecular Formula

  • C23-H31-N5-O7-S.3H2-O

Molecular Formula Fragments

  • C23-H31-N5-O7-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H31N5O7S/c1-10(2)25-13(9-14(24)30)18(31)27-19(32)15(11-5-7-12(29)8-6-11)26-16-20(33)28-17(22(34)35)23(3,4)36-21(16)28/h5-8,10,13,15-17,21,25-26,29H,9H2,1-4H3,(H2,24,30)(H,34,35)(H,27,31,32)/t13-,15+,16?,17?,21?/m1/s1

InChIKey

XAZSMWIDUGCZBG-IKXCUYCQSA-N

Smiles

CC(C)N[C@H](CC(=O)N)C(=O)NC(=O)[C@H](c1ccc(cc1)O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6gm/kg (6000mg/kg)   Japanese Journal of Antibiotics. Vol. 40, Pg. 1221, 1987.