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Substance Name: Disuccinylcirramycin A1
RN: 31511-20-3
InChIKey: YTPXAXKLPHXFRR-JQIJEIRASA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C39-H59-N-O16

Molecular Weight

  • 797.886
 
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Names and Synonyms

Synonym

  • BRN 1615301

Systematic Name

  • Disuccinylcirramycin A1

Registry Numbers

CAS Registry Number

  • 31511-20-3

System Generated Number

  • 0031511203

Structure Descriptors

InChI

1S/C39H59NO16/c1-9-27-22(4)37-39(6,56-37)16-14-25(42)20(2)18-24(15-17-41)34(21(3)26(43)19-32(50)52-27)55-38-36(54-31(49)13-11-29(46)47)33(40(7)8)35(23(5)51-38)53-30(48)12-10-28(44)45/h14,16-17,20-24,26-27,33-38,43H,9-13,15,18-19H2,1-8H3,(H,44,45)(H,46,47)/b16-14+

InChIKey

YTPXAXKLPHXFRR-JQIJEIRASA-N

Smiles

O(C(=O)CCC(O)=O)[C@@H]1[C@@H]([C@@H]([C@@H](O[C@@H]1O[C@@H]1[C@@H]([C@@H](CC(O[C@@H]([C@@H]([C@@H]2[C@@](C=CC([C@@H](C[C@@H]1CC=O)C)=O)(C)O2)C)CC)=O)O)C)C)OC(CCC(O)=O)=O)N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1400mg/kg (1400mg/kg)   Journal of Antibiotics. Vol. 22, Pg. 100, 1969.