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Substance Name: Cilofungin [USAN:INN]
RN: 79404-91-4
UNII: 8ZJC54A39X
InChIKey: ZKZKCEAHVFVZDJ-MTUMARHDSA-N

Note

  • A cyclic hexapeptide echinocandin; a modified form of Echinocandin B; antimycotic agent against Candida albicans.

Molecular Formula

  • C49-H71-N7-O17

Molecular Weight

  • 1030.1319
 

Classification Codes

  • Anti-Infective Agents
  • Antifungal
  • Antifungal Agents
  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Cilofungin
  • Cilofungin [USAN:INN]

Synonyms

  • (4R,5R)-4,5-Dihydroxy-N(sup 2)-(p-(octyloxy)benzoyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline cyclic (6-1)-peptide
  • (4R,5R)-4,5-Dihydroxy-N(sup 2)-(p-(octyloxy)benzoyl)-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(p-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline cyclic (6->1)-peptide
  • 1-((4R,5R)-4,5-Dihydroxy-N(sup 2)-(p-(octyloxy)benzoyl)-L-ornithine)echinocandin B
  • Antibiotic LY 121019
  • Cilofungin
  • Cilofungina
  • Cilofungina [INN-Spanish]
  • Cilofunginum
  • Cilofunginum [INN-Latin]
  • Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N(sup 2)-(4-(octyloxy)benzoyl)-L-ornithine)-
  • LY 121019
  • LY121019
  • UNII-8ZJC54A39X

Systematic Names

  • Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N(sup 2)-(4-(octyloxy)benzoyl)-L-ornithine)-
  • Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N2-(4-(octyloxy)benzoyl)-L-ornithine)-

Registry Numbers

CAS Registry Number

  • 79404-91-4

FDA UNII

  • 8ZJC54A39X

System Generated Number

  • 0079404914

Structure Descriptors

InChI

1S/C49H71N7O17/c1-5-6-7-8-9-10-19-73-31-17-13-28(14-18-31)42(65)50-32-21-34(61)45(68)54-47(70)38-39(62)24(2)22-56(38)49(72)36(26(4)58)52-46(69)37(41(64)40(63)27-11-15-29(59)16-12-27)53-44(67)33-20-30(60)23-55(33)48(71)35(25(3)57)51-43(32)66/h11-18,24-26,30,32-41,45,57-64,68H,5-10,19-23H2,1-4H3,(H,50,65)(H,51,66)(H,52,69)(H,53,67)(H,54,70)/t24-,25+,26+,30+,32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,45+/m0/s1

InChIKey

ZKZKCEAHVFVZDJ-MTUMARHDSA-N

Smiles

CCCCCCCCOc1ccc(cc1)C(=O)N[C@H]2C[C@@H](O)[C@@H](O)NC(=O)[C@@H]3[C@@H](O)[C@@H](C)CN3C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC2=O)[C@@H](C)O)[C@H](O)[C@@H](O)c5ccc(O)cc5)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LD intravenous > 110mg/kg (110mg/kg)   Drugs of the Future. Vol. 14, Pg. 939, 1989.
mouse LD50 intravenous 292mg/kg (292mg/kg)   Drugs of the Future. Vol. 14, Pg. 939, 1989.
rat LD50 intravenous 125mg/kg (125mg/kg)   Drugs of the Future. Vol. 14, Pg. 939, 1989.