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Substance Name: 3-Desacetylpancuronium
RN: 43021-44-9
UNII: B503EDG52X
InChIKey: DNYGUSUWFYEAJL-ZZZJANDJSA-N

Molecular Formula

  • C33-H58-N2-O3

Molecular Weight

  • 530.8322
 
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Names and Synonyms

Name of Substance

  • 3-Desacetylpancuronium

Synonyms

  • 3-Despanc
  • UNII-B503EDG52X

Systematic Name

  • Piperidinium, 1,1'-((2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxyandrostane-2,16-diyl)bis(1-methyl-

Registry Numbers

CAS Registry Number

  • 43021-44-9

FDA UNII

  • B503EDG52X

Related Registry Number

  • 41261-71-6 (bromide)

System Generated Number

  • 0043021449

Structure Descriptors

InChI

1S/C33H58N2O3/c1-23(36)38-31-28(34(4)16-8-6-9-17-34)21-27-25-13-12-24-20-30(37)29(35(5)18-10-7-11-19-35)22-33(24,3)26(25)14-15-32(27,31)2/h24-31,37H,6-22H2,1-5H3/q+2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1

InChIKey

DNYGUSUWFYEAJL-ZZZJANDJSA-N

Smiles

CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6