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Substance Name: Uproleselan sodium [USAN]
RN: 1914993-95-5
UNII: 17ZJN0Q4CJ
InChIKey: PXEZBPFEQYCSGD-CVDXTIKBSA-M

Classification Code

  • Antineoplastic

Molecular Formula

  • C60-H108-N3-Na-O27

Molecular Weight

  • 1326.4972
 
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Names and Synonyms

Name of Substance

  • Uproleselan sodium [USAN]

Synonyms

  • GMI-1271
  • Sodium (2S)-2-(((2R,3R,4R,5R,6R)-3-acetamido-2-(((1R,2R,3S,5R)-5-((2-(4,7,10,13,16,19,22,25,28,31,34,37-dodecaoxaoctatriacontanamido)ethyl)carbamoyl)-3-ethyl-2-(alpha-L-galactopyranosyloxy)cyclohexyl)oxy)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl)oxy)-3-cyclohexylpropanoate
  • UNII-17ZJN0Q4CJ
  • Uproleselan sodium

Systematic Name

  • 4,7,10,13,16,19,22,25,28,31,34,37-Dodecaoxaoctatriacontanamide, N-(2-((((1R,3R,4R,5S)-3-((2-(acetylamino)-3-O-((1S)-1-carboxy-2-cyclohexylethyl)-2-deoxy-beta-D-galactopyranosyl)oxy)-4-((6-deoxy-alpha-L-galactopyranosyl)oxy)-5-ethylcyclohexyl)carbonyl)amino)ethyl)-, sodium salt (1:1)

Registry Numbers

CAS Registry Number

  • 1914993-95-5

FDA UNII

  • 17ZJN0Q4CJ

System Generated Number

  • 1914993955

Structure Descriptors

InChI

1S/C60H109N3O27.Na/c1-5-44-38-45(39-46(55(44)90-60-54(70)53(69)51(67)41(2)86-60)88-59-50(63-42(3)65)56(52(68)48(40-64)89-59)87-47(58(72)73)37-43-9-7-6-8-10-43)57(71)62-13-12-61-49(66)11-14-75-17-18-77-21-22-79-25-26-81-29-30-83-33-34-85-36-35-84-32-31-82-28-27-80-24-23-78-20-19-76-16-15-74-4;/h41,43-48,50-56,59-60,64,67-70H,5-40H2,1-4H3,(H,61,66)(H,62,71)(H,63,65)(H,72,73);/q;+1/p-1/t41-,44-,45+,46+,47-,48+,50+,51+,52-,53+,54-,55+,56+,59+,60-;/m0./s1

InChIKey

PXEZBPFEQYCSGD-CVDXTIKBSA-M

Smiles

[Na+].CC[C@H]1C[C@H](C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)[O-])[C@H]2NC(=O)C)[C@@H]1O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC