Products 136781-89-0

CAS 136781-89-0 appears in our catalog under these names: Buprenorphine-d4, Buprenorphine-d4 (cyclopropyl-2,2,3,3-d4) hydrochloride. Offered by: TRC, Biosynth. Available pack sizes: 10mg, 1mg, 0,5mg, 2mg, 5mg.

Buprenorphine-d4
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Buprenorphine-d4 (cyclopropyl-2,2,3,3-d4) hydrochloride
Biosynth
  • size: 1mg, 0,5mg, 2mg, 5mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(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 (CAS 136781-89-0) is a chemical compound with the molecular formula C29H41NO4 and a molecular weight of 471.7 g/mol. IUPAC name: (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. InChIKey: RMRJXGBAOAMLHD-LXUQYKFSSA-N.

Identity
Molecular formulaC29H41NO4
Molecular weight471.7 g/mol
IUPAC name(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
InChIKeyRMRJXGBAOAMLHD-LXUQYKFSSA-N
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]

Computed by PubChem (NCBI)

Synonyms: Buprenorphine-d4, RMRJXGBAOAMLHD-LXUQYKFSSA-N
Related forms of this compound
(1S,2S,6R,14R,15R,16S)-5-(cyclopropylmethyl)-16-(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 C29H41NO4
(1S,2S,6R,15R,16R)-5-(cyclopropylmethyl)-15-methoxy-16-[(2R)-4,4,4-trideuterio-2-hydroxy-3,3-bis(trideuteriomethyl)butan-2-yl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol C29H41NO4
Isomers (same molecular formula)
(1S,2S,6R,14R,15R,16R)-5-but-3-enyl-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 C29H41NO4