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Substance Name: Thioxamycin
RN: 124883-37-0
UNII: 75W4CAQ38Z
InChIKey: GATPMIKWKVOBMF-GZASFEHQSA-N

Note

  • Isolated from Streptomyces sp.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C52-H48-N16-O15-S4

Molecular Weight

  • 1265.3122
 
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Names and Synonyms

Name of Substance

  • Thioxamycin

Synonyms

  • Thioxamycin
  • UNII-75W4CAQ38Z

Systematic Name

  • Sulfomycin I, 58-(1-carboxyethenyl)-28-deethylidene-14-de(2-hydroxypropylidene)-21-demethoxy-17,31-didemethyl-28-methyl-14-((methylthio)methyl)-30-thia-

Registry Numbers

CAS Registry Number

  • 124883-37-0

FDA UNII

  • 75W4CAQ38Z

System Generated Number

  • 0124883370

Structure Descriptors

InChI

1S/C52H48N16O15S4/c1-19(38(70)55-20(2)41(73)60-25(7)52(80)81)54-39(71)21(3)56-43(75)28-11-10-27-37(62-28)29-13-82-48(64-29)23(5)58-40(72)22(4)57-45(77)32-17-86-50(66-32)24(6)59-44(76)31-16-85-35(61-31)12-53-42(74)30-14-83-49(65-30)34(15-84-9)63-47(79)36(26(8)69)68-46(78)33-18-87-51(27)67-33/h10-11,13-14,16-18,24,26,34,36,69H,1-5,7,12,15H2,6,8-9H3,(H,53,74)(H,54,71)(H,55,70)(H,56,75)(H,57,77)(H,58,72)(H,59,76)(H,60,73)(H,63,79)(H,68,78)(H,80,81)/t24?,26-,34+,36+/m1/s1

InChIKey

GATPMIKWKVOBMF-GZASFEHQSA-N

Smiles

CSC[C@@H]1NC(=O)[C@@H](NC(=O)c2csc(n2)c3ccc(nc3c4coc(n4)C(=C)NC(=O)C(=C)NC(=O)c5csc(n5)C(C)NC(=O)c6csc(CNC(=O)c7coc1n7)n6)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 50mg/kg (50mg/kg)   Journal of Antibiotics. Vol. 42, Pg. 1465, 1989.