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Substance Name: Mideplanin [INN]
RN: 122173-74-4
UNII: Q0M2EMF621
InChIKey: KVZUWEFUEGGULL-UHFFFAOYSA-N

Molecular Formula

  • C93-H109-Cl2-N11-O32

Molecular Weight

  • 1963.8351
 
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Names and Synonyms

Name of Substance

  • Mdl 62873
  • Mideplanin [INN]

Synonyms

  • A mixture of six substances of which 70% is: 34-((2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy)-15-amino-22,31-dichloro-56-((2-deoxy-2-(8-methylnonanamido)-beta-D-glucopyranosyl)oxy)-N-(3-(dimethylamino)propyl)-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-6,11,40,44-tetrahydroxy-42-(alpha-D-mannopyranosyloxy)-2,16,36,50,51,59-hexaoxo-1H,15H,34H-20,23:30,33-dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-(1,14,6,22)dioxadiazacyclooctacosino(4,5-m)(10,2,16)benzoxadiazacyclotetracosine-38-carboxamide
  • Mideplanin
  • UNII-Q0M2EMF621

Systematic Names

  • A mixture of six substances of which 70% is: 34-((2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy)-15-amino-22,31-dichloro-56-((2-deoxy-2-(8-methylnonanamido)-beta-D-glucopyranosyl)oxy)-N-(3-(dimethylamino)propyl)-2,3,16,17,18,19,35,36,37,38,48,49,50,50a-tetradecahydro-6,11,40,44-tetrahydroxy-42-(alpha-D-mannopyranosyloxy)-2,16,36,50,51,59-hexaoxo-1H,15H,34H-20,23:30,33-dietheno-3,18,35,48-bis(iminomethano)-4,8,10,14,25,28,43,47-tetrametheno-28H-(1,14,6,22)dioxadiazacyclooctacosino(4,5-m)(10,2,16)benzoxadiazacyclotetracosine-38-carbxamide
  • Ristomycin A aglycone, 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxononyl)amino)-beta-D-glucopyranosyl)-38-(((3-(dimethylamino)propyl)amino)carbonyl)-42-O-alpha-D-mannopyranosyl-

Registry Numbers

CAS Registry Number

  • 122173-74-4

FDA UNII

  • Q0M2EMF621

Other Registry Numbers

  • 130123-91-0
  • 133394-35-1
  • 149285-11-0

System Generated Number

  • 0122173744

Structure Descriptors

InChI

1S/C93H109Cl2N11O32/c1-38(2)11-8-6-7-9-12-65(115)100-73-79(120)76(117)63(36-108)135-92(73)138-83-60-30-45-31-61(83)132-57-20-16-43(28-52(57)95)82(137-91-72(98-39(3)110)78(119)75(116)62(35-107)134-91)74-90(129)104-71(86(125)97-21-10-22-106(4)5)50-33-47(112)34-59(133-93-81(122)80(121)77(118)64(37-109)136-93)66(50)49-27-42(15-17-54(49)113)68(87(126)105-74)102-89(128)70(45)103-88(127)69-44-25-46(111)32-48(26-44)130-58-29-41(14-18-55(58)114)67(96)85(124)99-53(84(123)101-69)24-40-13-19-56(131-60)51(94)23-40/h13-20,23,25-34,38,53,62-64,67-82,91-93,107-109,111-114,116-122H,6-12,21-22,24,35-37,96H2,1-5H3,(H,97,125)(H,98,110)(H,99,124)(H,100,115)(H,101,123)(H,102,128)(H,103,127)(H,104,129)(H,105,126)

InChIKey

KVZUWEFUEGGULL-UHFFFAOYSA-N

Smiles

CC(C)CCCCCCC(=O)NC1C(C(C(OC1Oc2c3cc4cc2Oc5ccc(cc5Cl)C(C6C(=O)NC(c7cc(cc(c7-c8cc(ccc8O)C(C(=O)N6)NC(=O)C4NC(=O)C9c1cc(cc(c1)Oc1cc(ccc1O)C(C(=O)NC(Cc1ccc(c(c1)Cl)O3)C(=O)N9)N)O)OC1C(C(C(C(O1)CO)O)O)O)O)C(=O)NCCCN(C)C)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)CO)O)O