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Substance Name: A 30641
RN: 59978-04-0
InChIKey: NVCJFEMWTAVKAU-KWHPKRGUSA-N

Note

  • Epidithioketopiperazine with antifungal activity; metabolite of Aspergillus tamarii.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C12-H9-Cl-N2-O5-S2

Molecular Weight

  • 360.797
 
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Names and Synonyms

Name of Substance

  • A 30641

Synonyms

  • A30641
  • Antibiotic A 30641

Systematic Names

  • 11H-3,11a-(Iminomethano)(1,2,4)dithiazino(4,3-b)(1,2)benzoxazine-4,12(3H)-dione, 9-chloro-8-hydroxy-11-methoxy-
  • Spiro(benzofuran-2(3H),2'-(6,7)dithia(1,4)diazabicyclo(3.2.1)octane)-3,8-dione, 5-chloro-6-hydroxy-3-methoxy-

Registry Numbers

CAS Registry Number

  • 59978-04-0

System Generated Number

  • 0059978040

Structure Descriptors

InChI

1S/C12H9ClN2O5S2/c1-19-15-10-9(17)14-12(11(15)18)8(21-22-10)4-2-5(13)6(16)3-7(4)20-12/h2-3,8,10,16H,1H3,(H,14,17)/t8-,10-,12?/m0/s1

InChIKey

NVCJFEMWTAVKAU-KWHPKRGUSA-N

Smiles

S1[C@@H]2[C@@]3(C(N([C@H](S1)C(N3)=O)OC)=O)Oc1c2cc(c(c1)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 106mg/kg (106mg/kg)   Journal of Antibiotics. Vol. 29, Pg. 394, 1976.