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Substance Name: Buprenorphine hemiadipate hydrochloride
RN: 951123-35-6
UNII: 4S28A3OK90
InChIKey: GKQJIYJVBLPVCZ-SVHCMVJSSA-N

Molecular Formula

  • C35-H49-N-O7.Cl-H

Molecular Weight

  • 632.233
 
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Names and Synonyms

Name of Substance

  • Buprenorphine hemiadipate hydrochloride

Synonyms

  • 6,14-Ethenomorphinan-7-methanol, 3-((5-carboxy-1-oxopentyl)oxy)-17-(cyclopropylmethyl)-alpha-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-6-methoxy-alpha-methyl-, hydrochloride (1:1), (alphaS,5alpha,7alpha)-
  • Buprenorphine adipate ester hydrochloride
  • Buprenorphine hemiadipate hydrochloride
  • UNII-4S28A3OK90

Registry Numbers

CAS Registry Number

  • 951123-35-6

FDA UNII

  • 4S28A3OK90

System Generated Number

  • 0951123356

Structure Descriptors

InChI

1S/C35H49NO7.ClH/c1-31(2,3)32(4,40)24-19-33-14-15-35(24,41-5)30-34(33)16-17-36(20-21-10-11-21)25(33)18-22-12-13-23(29(43-30)28(22)34)42-27(39)9-7-6-8-26(37)38;/h12-13,21,24-25,30,40H,6-11,14-20H2,1-5H3,(H,37,38);1H/t24-,25-,30-,32+,33-,34+,35-;/m1./s1

InChIKey

GKQJIYJVBLPVCZ-SVHCMVJSSA-N

Smiles

Cl.CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(OC(=O)CCCCC(=O)O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56