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Substance Name: Alvespimycin [INN]
RN: 467214-20-6
UNII: 001L2FE0M3
InChIKey: KUFRQPKVAWMTJO-LMZWQJSESA-N

Molecular Weight

  • 616.7512
 
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Names and Synonyms

Name of Substance

  • Alvespimycin [INN]

Synonyms

  • 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin
  • 17-DMAG
  • Alvespimycin
  • DMAG
  • KOS 1022
  • KOS-1022
  • KOS1022
  • NSC 707545
  • NSC707545
  • UNII-001L2FE0M3

Systematic Name

  • ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(2-dimethylaminoethylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo(16.3.1)docosa-4,6,10,18,21-pentaen-9-yl) carbamate

Registry Numbers

CAS Registry Number

  • 467214-20-6

FDA UNII

  • 001L2FE0M3

System Generated Number

  • 0467214206

Structure Descriptors

InChI

1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1

InChIKey

KUFRQPKVAWMTJO-LMZWQJSESA-N

Smiles

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC