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Substance Name: Amphotericin B, propyl ester
RN: 55290-96-5
InChIKey: FFJQRWVPTKMHAL-VXERPGQXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C50-H79-N-O17

Molecular Weight

  • 966.1641
 
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Names and Synonyms

  • Amphotericin B, propyl ester

Registry Numbers

CAS Registry Number

  • 55290-96-5

System Generated Number

  • 0055290965

Structure Descriptors

InChI

1S/C50H79NO17/c1-6-23-64-48(62)43-40(57)29-50(63)28-36(54)25-39(56)38(55)22-21-34(52)24-35(53)26-42(58)65-32(4)31(3)45(59)30(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-37(27-41(43)68-50)67-49-47(61)44(51)46(60)33(5)66-49/h7-20,30-41,43-47,49,52-57,59-61,63H,6,21-29,51H2,1-5H3/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t30-,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41-,43+,44-,45+,46+,47-,49-,50+/m0/s1

InChIKey

FFJQRWVPTKMHAL-VXERPGQXSA-N

Smiles

CCCOC(=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.