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Substance Name: Candicidin D
RN: 39372-30-0
UNII: 5190Y348H9
InChIKey: OPGSFDUODIJJGF-XHQWTUNZSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C59-H84-N2-O18

Molecular Weight

  • 1109.3086
 
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Names and Synonyms

Name of Substance

  • Candicidin D

Synonyms

  • Candicidin D
  • Candicidin D1
  • Levorin A2
  • LIA-0704
  • UNII-5190Y348H9

Systematic Name

  • Perimycin-50-oic acid, 21-O-(3-amino-3,6-dideoxy-D-mannopyranosyl)-21-O-de(4-amino-4,6-dideoxy-D-mannopyranosyl)-N(sup 47)-demethyl-13-deoxo-3,5,7-trideoxy-13-hydroxy-40-methyl-3,7-dioxo-

Registry Numbers

CAS Registry Number

  • 39372-30-0

FDA UNII

  • 5190Y348H9

Other Registry Number

  • 39454-91-6

System Generated Number

  • 0039372300

Structure Descriptors

InChI

1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(78-59-56(74)54(61)55(73)38(4)77-59)33-51(71)53(58(75)76)50(70)31-46(67)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)32-52(72)79-57(35)37(3)26-36(2)48(68)34-49(69)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-45,47-48,50-51,53-57,59,64-66,68,70-71,73-74H,17,19-20,26-34,60-61H2,1-4H3,(H,75,76)/b6-5-,9-7+,10-8-,13-11+,14-12+,18-15+,21-16+/t35-,36-,37-,38+,43-,44-,45-,47-,48-,50-,51-,53+,54-,55+,56-,57-,59-/m0/s1

InChIKey

OPGSFDUODIJJGF-XHQWTUNZSA-N

Smiles

C[C@@H](C[C@H](C)[C@H]1OC(=O)CC(=O)CCCC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC(=O)C[C@H](O)[C@H]([C@@H](O)C[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)\C=C\C=C\C=C/C=C\C=C\C=C\C=C\[C@@H]1C)C(=O)O)[C@@H](O)CC(=O)c3ccc(N)cc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6700ug/kg (6.7mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 2, Pg. 262, 1980.