Products 1134630-65-1

CAS 1134630-65-1 is the registry number for Buprenorphine-d9. Offered by: TRC. Available pack sizes: 10mg.

Buprenorphine-d9
TRC
  • size: 10mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(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 (CAS 1134630-65-1) is a chemical compound with the molecular formula C29H41NO4 and a molecular weight of 476.7 g/mol. IUPAC name: (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. InChIKey: RMRJXGBAOAMLHD-GWDPIIMQSA-N.

Identity
Molecular formulaC29H41NO4
Molecular weight476.7 g/mol
IUPAC name(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
InChIKeyRMRJXGBAOAMLHD-GWDPIIMQSA-N
SMILES[2H]C([2H])([2H])C([C@@](C)([C@H]1C[C@@]23CC[C@@]1(C4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O)(C([2H])([2H])[2H])C([2H])([2H])[2H]

Computed by PubChem (NCBI)

Synonyms: Buprenorphine-d9
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,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 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