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Substance Name: Amphocil
RN: 120895-52-5
UNII: 774X4698X3
InChIKey: PCTMTFRHKVHKIS-BMFZQQSSSA-N

Molecular Formula

  • C47-H73-N-O17.C27-H46-O4-S

Molecular Weight

  • 1390.8061
 
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Names and Synonyms

Results Name

  • Amphocil

Name of Substance

  • Amphotericin B cholesteryl sulfate

Synonyms

  • Amphocil
  • UNII-774X4698X3

Systematic Name

  • Amphotericin B, compd. with (3beta)-cholest-5-en-3-yl hydrogen sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 120895-52-5

FDA UNII

  • 774X4698X3

System Generated Number

  • 0120895525

Molecular Formulas

Molecular Formula

  • C47-H73-N-O17.C27-H46-O4-S

Molecular Formula Fragments

  • C27-H46-O4-S
  • C47-H73-N-O17
  • COMPONENT

Structure Descriptors

InChI

1S/C47H73NO17.C27H46O4S/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)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56;1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60);9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+;/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+;19-,21+,22+,23-,24+,25+,26+,27-/m01/s1

InChIKey

PCTMTFRHKVHKIS-BMFZQQSSSA-N

Smiles

C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O.C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C