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Substance Name: Nalbuphine sebacate
RN: 311768-81-7
UNII: 464OXX39Y6
InChIKey: ALOIOAGKUOQNID-ITCIXCFHSA-N

Molecular Formula

  • C52-H68-N2-O10

Molecular Weight

  • 881.1132
 
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Names and Synonyms

Name of Substance

  • Nalbuphine sebacate

Synonyms

  • Bis(17-(cyclobutylmethyl)-4,5alpha-epoxy-6alpha,14-dihydroxymorphinan-3-yl) decanedioate
  • Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-, 3,3'-decanedioate, (5alpha,6alpha)-(5'alpha,6'alpha)-
  • Nalbuphine sebacate
  • Nalbuphine sebacate [INN]
  • Sebacoyldinalbuphine
  • UNII-464OXX39Y6

Registry Numbers

CAS Registry Number

  • 311768-81-7

FDA UNII

  • 464OXX39Y6

System Generated Number

  • 0311768817

Structure Descriptors

InChI

1S/C52H68N2O10/c55-35-19-21-51(59)39-27-33-15-17-37(45-43(33)49(51,47(35)63-45)23-25-53(39)29-31-9-7-10-31)61-41(57)13-5-3-1-2-4-6-14-42(58)62-38-18-16-34-28-40-52(60)22-20-36(56)48-50(52,44(34)46(38)64-48)24-26-54(40)30-32-11-8-12-32/h15-18,31-32,35-36,39-40,47-48,55-56,59-60H,1-14,19-30H2/t35-,36-,39+,40+,47-,48-,49-,50-,51+,52+/m0/s1

InChIKey

ALOIOAGKUOQNID-ITCIXCFHSA-N

Smiles

O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(OC(=O)CCCCCCCCC(=O)Oc5ccc6C[C@H]7N(CC8CCC8)CC[C@@]9%10[C@@H](Oc5c69)[C@@H](O)CC[C@@]7%10O)c%11O[C@@H]1[C@]2(CCN3CC%12CCC%12)c4%11