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Substance Name: Diastovaricins II
RN: 102228-99-9
InChIKey: VEDOKYSBCNXSGP-FJKGIEQNSA-N

Note

  • From a streptomycete.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H52-N2-O12-S

Molecular Weight

  • 832.9628
 
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Names and Synonyms

Name of Substance

  • Diastovaricins II

Synonyms

  • (4E,6Z)-30-((2-(Acetylamino)-2-carboxyethyl)thio)-30-dechloro-2-demethylnaphthomycin A
  • Diastovaricin II

Systematic Name

  • Naphthomycin A, 30-((2-(acetylamino)-2-carboxyethyl)thio)-30-dechloro-2-demethyl-, (4E,6Z)-

Registry Numbers

CAS Registry Number

  • 102228-99-9

System Generated Number

  • 0102228999

Structure Descriptors

InChI

1S/C44H52N2O12S/c1-22-12-10-8-9-11-13-34(51)46-37-41(55)30-19-27(6)40(54)36(35(30)42(56)43(37)59-21-31(44(57)58)45-28(7)47)39(53)26(5)18-25(4)38(52)24(3)15-17-29(48)16-14-23(2)33(50)20-32(22)49/h8-15,17-19,22,24-25,29,31-32,38,48-49,52,54H,16,20-21H2,1-7H3,(H,45,47)(H,46,51)(H,57,58)/b9-8-,12-10+,13-11+,17-15+,23-14+,26-18-/t22-,24-,25-,29-,31-,32-,38-/m0/s1

InChIKey

VEDOKYSBCNXSGP-FJKGIEQNSA-N

Smiles

Cc1cc2c3c(c1O)C(=O)/C(=C\[C@@H]([C@H]([C@H](/C=C/[C@H](C/C=C(/C(=O)C[C@@H]([C@H](/C=C/C=C\C=C\C(=O)NC(=C(C3=O)SC[C@@H](C(=O)O)NC(=O)C)C2=O)C)O)\C)O)C)O)C)/C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 200mg/kg (200mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 311, 1986.