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Substance Name: Amphotericin B, butyl ester
RN: 52539-60-3
InChIKey: ORMASAKTAGRJRX-MFSUEWQOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H81-N-O17

Molecular Weight

  • 980.1909
 
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Names and Synonyms

  • Amphotericin B, butyl ester

Registry Numbers

CAS Registry Number

  • 52539-60-3

System Generated Number

  • 0052539603

Structure Descriptors

InChI

1S/C51H81NO17/c1-6-7-24-65-49(63)44-41(58)30-51(64)29-37(55)26-40(57)39(56)23-22-35(53)25-36(54)27-43(59)66-33(4)32(3)46(60)31(2)20-18-16-14-12-10-8-9-11-13-15-17-19-21-38(28-42(44)69-51)68-50-48(62)45(52)47(61)34(5)67-50/h8-21,31-42,44-48,50,53-58,60-62,64H,6-7,22-30,52H2,1-5H3/b9-8+,12-10+,13-11+,16-14+,17-15+,20-18+,21-19+/t31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41-,42-,44+,45-,46+,47+,48-,50-,51+/m0/s1

InChIKey

ORMASAKTAGRJRX-MFSUEWQOSA-N

Smiles

CCCCOC(=O)[C@H]1[C@@H]2C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C[C@@H](CC[C@H]([C@@H](C[C@@H](C[C@@](O2)(C[C@@H]1O)O)O)O)O)O)O)C)C)O)C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 50mg/kg (50mg/kg)   Journal of Pharmaceutical Sciences. Vol. 64, Pg. 462, 1975.