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Substance Name: Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- (9CI)
RN: 37934-52-4
InChIKey: VGJIEAUSEFTEPX-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C30-H28-N6-O8-S4

Molecular Weight

  • 728.8492
 
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Names and Synonyms

Synonyms

  • (6S,6'S)-6,6'-Dihydroxychaetocin
  • 11,11'-Dihydroxychaetocin
  • 11,11'-Dihydroxychetocin
  • Melinacidin IV

Systematic Names

  • Chaetocin, 6,6'-dihydroxy-, (6S,6'S)- (9CI)
  • Chetocin, 11,11'-dihydroxy-

Registry Numbers

CAS Registry Number

  • 37934-52-4

System Generated Number

  • 0037934524

Structure Descriptors

InChI

1S/C30H28N6O8S4/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3

InChIKey

VGJIEAUSEFTEPX-UHFFFAOYSA-N

Smiles

CN1C(=O)C23C(C4(c5ccccc5NC4N2C(=O)C1(SS3)CO)C67c8ccccc8NC6N9C(=O)C1(N(C(=O)C9(C7O)SS1)C)CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4mg/kg (4mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 170, 1980.