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Substance Name: Anidulafungin [USAN:INN:BAN]
RN: 166663-25-8
UNII: 9HLM53094I
InChIKey: JHVAMHSQVVQIOT-MFAJLEFUSA-N

Note

  • A cyclic hexapeptide echinocandin; antifungal by noncompetitively inhibiting 1,3-beta-D-glucan synthase.

Molecular Formula

  • C58-H73-N7-O17

Molecular Weight

  • 1140.2467
 

Classification Codes

  • Anti-Infective Agents
  • Antibiotics, Antifungal
  • Antifungal
  • Antifungal Agents
  • Antifungal used in the Treatment of Infections Caused by Candida (All Species), Aspergillus, and Pneumocystis
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Names and Synonyms

Name of Substance

  • Anidulafungin [USAN:INN:BAN]

Synonyms

  • (4R,5R)-4,5-Dihydroxy-N(sup 2)-((4'-(pentyloxy)-p-terphenyl-4-yl)carbonyl)-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
  • Anidulafungin
  • Ecalta
  • Eraxis
  • LY303366
  • UNII-9HLM53094I

Systematic Name

  • Echinocandin B, 1-((4R,5R)-4,5-dihydroxy-N2-((4''-(pentyloxy)(1,1':4',1''-terphenyl)-4-yl)carbonyl)-L-ornithine)

Registry Numbers

CAS Registry Number

  • 166663-25-8

FDA UNII

  • 9HLM53094I

System Generated Number

  • 0166663258

Structure Descriptors

InChI

1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1

InChIKey

JHVAMHSQVVQIOT-MFAJLEFUSA-N

Smiles

CCCCCOc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@@H](O)CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)[C@H](O)[C@@H](O)c7ccc(O)cc7)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 1gm/kg (1000mg/kg)   Drugs of the Future. Vol. 19, Pg. 338, 1994.