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Substance Name: Rezafungin acetate [USAN]
RN: 1631754-41-0
UNII: W1U1TMN677
InChIKey: MXMWJAPNUIKPGF-MLAUIKIVSA-N

Classification Code

  • Treatment of Candidemia and Invasive Candiasis

Molecular Formula

  • C63-H85-N8-O17.C2-H3-O2

Molecular Weight

  • 1285.4472
 
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Names and Synonyms

Name of Substance

  • Biafungin acetate
  • Rezafungin acetate [USAN]

Synonyms

  • Biafungin acetate
  • CD-101 acetate
  • CD101 acetate
  • Rezafungin acetate
  • SP-3025 acetate
  • UNII-W1U1TMN677

Registry Numbers

CAS Registry Number

  • 1631754-41-0

FDA UNII

  • W1U1TMN677

System Generated Number

  • 1631754410

Structure Descriptors

InChI

1S/C63H84N8O17.C2H4O2/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81;1-2(3)4/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84);1H3,(H,3,4)/t34-,35+,36+,44+,46-,47-,48+,49-,50-,51?,52-,53-,54-,55-,61+;/m0./s1

InChIKey

MXMWJAPNUIKPGF-MLAUIKIVSA-N

Smiles

CCCCCOc1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C(=O)N[C@H]4C[C@@H](O)[C@H](NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H]6C[C@@H](O)CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)[C@H](O)[C@@H](O)c7ccc(O)cc7)[C@@H](C)O)OCC[N+](C)(C)C.CC(=O)[O-]