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Substance Name: MS 8209
RN: 136458-97-4
InChIKey: JSUJKMOBITWFIW-JPZXYXNDSA-N

Note

  • An amphotericin B derivative with antifungal and antiviral properties; inhibits HIV-1 replication; prevents membrane expression of HIV-1 large envelope glycoprotein gp120; tested against scrapie.

Molecular Formula

  • C60-H87-N-O22.C7-H17-N-O5

Molecular Weight

  • 1369.55
 
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Names and Synonyms

Name of Substance

  • MS 8209

Synonyms

  • 1-Deoxy-1-amino-4,6-O-benzylidene-fructosyl-amphotericin B
  • D-Glucitol, 1-deoxy-1-(methylamino)-, compd. with N-(1-deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B (1:1)
  • MS-8209

Systematic Name

  • Amphotericin B, N-(1-deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)

Registry Numbers

CAS Registry Number

  • 136458-97-4

System Generated Number

  • 0136458974

Molecular Formulas

Molecular Formula

  • C60-H87-N-O22.C7-H17-N-O5

Molecular Formula Fragments

  • C60-H87-N-O22
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C60H87NO22.C7H17NO5/c1-34-20-16-13-11-9-7-5-6-8-10-12-14-19-23-42(81-59-55(74)51(53(72)37(4)80-59)61-32-46(68)54(73)56-47(69)33-78-58(82-56)38-21-17-15-18-22-38)29-48-50(57(75)76)45(67)31-60(77,83-48)30-41(64)27-44(66)43(65)25-24-39(62)26-40(63)28-49(70)79-36(3)35(2)52(34)71;1-8-2-4(10)6(12)7(13)5(11)3-9/h5-23,34-37,39-45,47-48,50-56,58-59,61-67,69,71-74,77H,24-33H2,1-4H3,(H,75,76);4-13H,2-3H2,1H3/b6-5+,9-7+,10-8+,13-11+,14-12+,20-16+,23-19+;/t34-,35-,36-,37+,39+,40+,41-,42-,43+,44+,45-,47+,48-,50+,51-,52+,53+,54+,55-,56+,58?,59-,60+;4-,5+,6+,7+/m00/s1

InChIKey

JSUJKMOBITWFIW-JPZXYXNDSA-N

Smiles

O1[C@@H]([C@H](O)C(=O)CN[C@H]2[C@H](O)[C@@H](C)O[C@H](O[C@H]3C=CC=CC=CC=CC=CC=CC=C[C@@H]([C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@@H](C[C@@H](CC[C@H]([C@H](O)C[C@@H](C[C@@]4(O)O[C@@H]([C@@H]([C@H](O)C4)C(=O)O)C3)O)O)O)O)C)[C@H]2O)[C@@H](CO[C@@H]1c1ccccc1)O.O[C@@H]([C@@H]([C@H](O)CO)O)[C@@H](O)CNC