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Substance Name: Diastovaricins I
RN: 102281-52-7
InChIKey: ODRXJBTZWPWLEA-NWJDJMOLSA-N

Note

  • From a strepomycete.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H45-N-O10

Molecular Weight

  • 687.781
 
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Names and Synonyms

Name of Substance

  • Diastovaricins I

Synonyms

  • (4E,6Z)-30-Dechloro-2-demethyl-30-hydroxynaphthomycin A
  • Diastovaricin I

Systematic Name

  • Naphthomycin A, 30-dechloro-2-demethyl-30-hydroxy-, (4E,6Z)-

Registry Numbers

CAS Registry Number

  • 102281-52-7

System Generated Number

  • 0102281527

Structure Descriptors

InChI

1S/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47,50H,15,19H2,1-6H3,(H,40,44)/b8-7+,11-9-,12-10+,16-14+,21-13+,24-17-/t20-,22+,23+,26+,28+,34+/m1/s1

InChIKey

ODRXJBTZWPWLEA-NWJDJMOLSA-N

Smiles

c1c(c(O)c2C(=O)C(=C[C@@H]([C@H]([C@@H](C)C=C[C@H](CC=C(C(C[C@H](O)[C@@H](C=CC=CC=CC(=O)NC=3C(c1c2C(C3O)=O)=O)C)=O)C)O)O)C)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.