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Substance Name: SPA S 843
RN: 202748-83-2
UNII: 7T591796IJ
InChIKey: VUJFLULIGNDMNL-VJVWVGQESA-N

Molecular Formula

  • C67-H103-N5-O19.2C6-H8-O6

Molecular Weight

  • 1634.81
 
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Names and Synonyms

Name of Substance

  • SPA S 843

Synonyms

  • SPA-S 843
  • SPA-S-843
  • SPK 843
  • SPK-843
  • UNII-7T591796IJ

Systematic Name

  • Candicidin D, 18-decarboxy-40-demethyl-3,7-dideoxo-N3'-((dimethylamino)acetyl)-18-(((2-(dimethylamino)ethyl)amino)carbonyl)-3,7-dihydroxy-N47-methyl-5-oxo-, cyclic 15,19-hemiacetal, compd. with L-ascorbic acid (1:2)

Registry Numbers

CAS Registry Number

  • 202748-83-2

FDA UNII

  • 7T591796IJ

System Generated Number

  • 0202748832

Molecular Formulas

Molecular Formula

  • C67-H103-N5-O19.2C6-H8-O6

Molecular Formula Fragments

  • C6-H8-O6
  • C67-H103-N5-O19
  • COMPONENT

Structure Descriptors

InChI

1S/C67H103N5O19.2C6H8O6/c1-42-21-19-17-15-13-11-9-10-12-14-16-18-20-22-54(89-66-63(85)61(62(84)44(3)88-66)70-58(82)41-72(7)8)38-57-60(65(86)69-29-30-71(5)6)56(81)40-67(87,91-57)39-53(79)35-51(77)33-49(75)31-48(74)32-50(76)34-52(78)37-59(83)90-64(42)43(2)23-28-47(73)36-55(80)45-24-26-46(68-4)27-25-45;2*7-1-2(8)5-3(9)4(10)6(11)12-5/h9-22,24-27,42-44,47-49,51-54,56-57,60-64,66,68,73-75,77-79,81,84-85,87H,23,28-41H2,1-8H3,(H,69,86)(H,70,82);2*2,5,7-10H,1H2/b10-9+,13-11+,14-12+,17-15+,18-16+,21-19+,22-20+;;/t42-,43-,44+,47?,48+,49-,51-,52+,53-,54-,56-,57-,60+,61-,62+,63-,64-,66-,67+;2*2-,5+/m000/s1

InChIKey

VUJFLULIGNDMNL-VJVWVGQESA-N

Smiles

O1[C@H]([C@H]([C@@H](NC(CN(C)C)=O)[C@@H](O)[C@H]1C)O)O[C@H]1C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H]([C@H](CC[C@@H](CC(c2ccc(NC)cc2)=O)O)C)OC(=O)C[C@@H](CC(C[C@@H](C[C@@H](C[C@@H](C[C@H](O)C[C@@]2(O)O[C@@H]([C@@H]([C@H](O)C2)C(=O)NCCN(C)C)C1)O)O)O)=O)O.C1(=C([C@H](OC1=O)[C@H](CO)O)O)O.C1(=C([C@H](OC1=O)[C@H](CO)O)O)O