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Substance Name: Candidin
RN: 1405-90-9
UNII: 1N0J75483Y
InChIKey: IBRQTOKMQLIMRF-KACBBQTFSA-N

Classification Codes

  • Anti-Infective Agents
  • Antifungal Agents
  • Drug / Therapeutic Agent

Molecular Formulas

  • C46-H71-N-O17
  • C47-H71-N-O17

Molecular Weight

  • 922.0679
 
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Names and Synonyms

Name of Substance

  • Candidin

Synonyms

  • 8,9-Dideoxy-10-hydroxy-7-oxoamphotericin B
  • Candidine
  • EINECS 215-788-3
  • UNII-1N0J75483Y

Systematic Names

  • Amphotericin B, 8,9-dideoxy-10-hydroxy-7-oxo-
  • Candidin

Registry Numbers

CAS Registry Number

  • 1405-90-9

FDA UNII

  • 1N0J75483Y

System Generated Number

  • 0001405909

Structure Descriptors

InChI

1S/C47H71NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-30,32-38,40-44,46,50-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1

InChIKey

IBRQTOKMQLIMRF-KACBBQTFSA-N

Smiles

C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC(=O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7mg/kg (7mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 263, 1989.
mouse LD50 intravenous 1500ug/kg (1.5mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 263, 1989.
mouse LD50 oral 100mg/kg (100mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 2, Pg. 288, 1980.
mouse LD50 subcutaneous 30mg/kg (30mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 263, 1989.