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Substance Name: Amphotericin B 2-morpholinoethyl amide diaspartate
RN: 130176-10-2
InChIKey: QRPOXQDFSXMUIU-KWUQYRROSA-N

Note

  • Has selective toxicity.

Molecular Formula

  • C53-H85-N3-O17.2C4-H7-N-O4

Molecular Weight

  • 1302.4631
 
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Names and Synonyms

Name of Substance

  • Amphotericin B 2-morpholinoethyl amide diaspartate

Synonym

  • AB-2-Meada

Systematic Names

  • Amphotericin B, 16-decarboxy-16-(((2-(4-morpholinyl)ethyl)amino)carbonyl)-, L-aspartate (1:2) (salt)
  • L-Aspartic acid, compd. with 16-decarboxy-16-(((2-(4-morpholinyl)ethyl)amino)carbonyl)amphotericin B (2:1)

Registry Numbers

CAS Registry Number

  • 130176-10-2

System Generated Number

  • 0130176102

Molecular Formulas

Molecular Formula

  • C53-H85-N3-O17.2C4-H7-N-O4

Molecular Formula Fragments

  • C4-H7-N-O4
  • C53-H85-N3-O17
  • COMPONENT

Structure Descriptors

InChI

1S/C53H85N3O17.2C4H7NO4/c1-33-17-15-13-11-9-7-5-6-8-10-12-14-16-18-40(72-52-50(66)47(54)49(65)36(4)71-52)30-44-46(51(67)55-21-22-56-23-25-69-26-24-56)43(62)32-53(68,73-44)31-39(59)28-42(61)41(60)20-19-37(57)27-38(58)29-45(63)70-35(3)34(2)48(33)64;2*5-2(4(8)9)1-3(6)7/h5-18,33-44,46-50,52,57-62,64-66,68H,19-32,54H2,1-4H3,(H,55,67);2*2H,1,5H2,(H,6,7)(H,8,9)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+;;/t;2*2-/m.00/s1

InChIKey

QRPOXQDFSXMUIU-KWUQYRROSA-N

Smiles

CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)NCCN3CCOCC3)OC4C(C(C(C(O4)C)O)N)O.C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O