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Substance Name: Rezafungin [USAN]
RN: 1396640-59-7
UNII: G013B5478J
InChIKey: LNFCWEXGZIEGJW-KUPVQNIQSA-O

Classification Code

  • Treatment of Candidemia and Invasive Candiasis

Molecular Formula

  • C63-H85-N8-O17

Molecular Weight

  • 1226.4035
 
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Names and Synonyms

Name of Substance

  • Biafungin
  • Rezafungin [USAN]

Synonyms

  • Biafungin
  • CD-101
  • CD101
  • Echinocandin B, 1-((4R,5R)-4-hydroxy-N2-((4''-(pentyloxy)(1,1':4',1''-terphenyl)-4-yl)carbonyl)-5-(2-(trimethylammonio)ethoxy)-L-ornithine)-4-((4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-allothreonine)-
  • Rezafungin
  • SP-3025
  • UNII-G013B5478J

Registry Numbers

CAS Registry Number

  • 1396640-59-7

FDA UNII

  • G013B5478J

System Generated Number

  • 1396640597

Structure Descriptors

InChI

1S/C63H84N8O17/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/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)/p+1/t34-,35+,36+,44+,46-,47-,48+,49?,50-,51?,52-,53-,54-,55-,61+/m0/s1

InChIKey

LNFCWEXGZIEGJW-KUPVQNIQSA-O

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(NC4=O)[C@@H](C)O)[C@H](O)[C@@H](O)c7ccc(O)cc7)[C@@H](C)O)OCC[N+](C)(C)C