Chemical Compound

Buprenorphine-d4

CAS Registry Number 136781-89-0
Buprenorphine-d4 chemical structure
Primary Record

Buprenorphine-d4

In stock
7,564 g
Purity
98.4 %
CAS
136781-89-0

Compound Identifiers & Properties

CAS
136781-89-0
PubChem CID
6914096
SMILES
[2H]C1(CC1C([2H])([2H])N2CC[C@]34[C@@H]5C6(CC[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)C[C@@H]6[C@@](C)(C(C)(C)C)O)OC)[2H]
Canonical SMILES
[2H]C1([2H])CC1C([2H])([2H])N1CC[C@]23c4c5ccc(O)c4O[C@H]2C2(OC)CC[C@@]3(C[C@@H]2[C@](C)(O)C(C)(C)C)[C@H]1C5

Names & Synonyms

  • Buprenorphine-d4
  • RMRJXGBAOAMLHD-LXUQYKFSSA-N
  • DTXSID601016173
  • 136781-89-0
  • (1S,2S,6R,14R,16R)-5-[dideuterio-(2,2-dideuteriocyclopropyl)methyl]-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
  • (5a,14b,18R)-17-[(2,2-2H2)cyclopropyl(2H2)methyl]-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
  • (18R)-17-[(2,2-~2~H_2_)Cyclopropyl(~2~H_2_)methyl]-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-5alpha,14beta-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol