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Substance Name: Demethylblasticidin S
RN: 63257-29-4
InChIKey: OJVBAQZCFZMOBW-NGERZBJRSA-N

Note

  • A biologically active metabolite of blasticidin S.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N8-O5

Molecular Weight

  • 408.417
 
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Names and Synonyms

Name of Substance

  • Demethylblasticidin S

Synonyms

  • 5-25-14-00412 (Beilstein Handbook Reference)
  • BRN 0730679
  • Demethylblasticidin S

Systematic Name

  • beta-D-erythro-Hex-2-enopyranuronic acid, 4-((3-amino-5-((aminoiminomethyl)amino)-1-oxopentyl)amino)-1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-, (S)-

Registry Numbers

CAS Registry Number

  • 63257-29-4

System Generated Number

  • 0063257294

Structure Descriptors

InChI

1S/C16H24N8O5/c17-8(3-5-21-15(19)20)7-11(25)22-9-1-2-12(29-13(9)14(26)27)24-6-4-10(18)23-16(24)28/h1-2,4,6,8-9,12-13H,3,5,7,17H2,(H,22,25)(H,26,27)(H2,18,23,28)(H4,19,20,21)/t8-,9-,12+,13-/m0/s1

InChIKey

OJVBAQZCFZMOBW-NGERZBJRSA-N

Smiles

n1c(=O)n(ccc1N)[C@H]1C=C[C@H](NC(C[C@H](CCNC(N)=N)N)=O)[C@H](C(O)=O)O1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 35mg/kg (35mg/kg)   Journal of Antibiotics. Vol. 30, Pg. 1022, 1977.