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Substance Name: Axelopran sulfate [USAN]
RN: 949904-50-1
UNII: 8OJM0A31U9
InChIKey: QNFFAKFVKCGLPK-WTKDUOFSSA-N

Classification Code

  • Treatment of Opioid-Induced Constipation

Molecular Formulas

  • C26-H39-N3-O4.H2-O4-S
  • C26-H39-N3-O4.H2-S-O4

Molecular Weight

  • 555.6889
 
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Names and Synonyms

Name of Substance

  • Axelopran sulfate
  • Axelopran sulfate [USAN]

Synonyms

  • 3-((1R,3R,5S)-8-(2-((Cyclohexylmethyl)((2S)-2,3-dihydroxypropanoyl)amino)ethyl)-8-azabicyclo(3.2.1)octan-3-yl)benzamide monosulfate
  • Axelopran sulfate
  • Axelopran sulfate [USAN]
  • Benzamide, 3-((3-endo)-8-(2-((cyclohexylmethyl)((2S)-2,3-dihydroxy-1-oxopropyl)amino)ethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, sulfate (1:1)
  • TD-1211 sulfate
  • UNII-8OJM0A31U9

Systematic Name

  • Benzamide, 3-((3-endo)-8-(2-((cyclohexylmethyl)((2S)-2,3-dihydroxy-1-oxopropyl)amino)ethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 949904-50-1

FDA UNII

  • 8OJM0A31U9

System Generated Number

  • 0949904501

Structure Descriptors

InChI

1S/C26H39N3O4.H2O4S/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18;1-5(2,3)4/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32);(H2,1,2,3,4)/t21-,22+,23-,24-;/m0./s1

InChIKey

QNFFAKFVKCGLPK-WTKDUOFSSA-N

Smiles

c1cc(cc(c1)C(=O)N)[C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CC4CCCCC4)C(=O)[C@H](CO)O.OS(=O)(=O)O