Products 1261083-89-9

CAS 1261083-89-9 appears in our catalog under these names: Buprenorphine-d3 Hydrochloride (1mg/ml in Acetonitrile), Buprenorphine-d3 Hydrochloride, Buprenorphine-d3 Hydrochloride (1mg/ml in methanol). Offered by: TRC, Biosynth. Available pack sizes: 1x1ml, 10mg, 1mg, 5x1ml, 5mg, 50mg, 25mg.

Structural formula: {0} (CAS {1})

(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-(trideuteriomethoxy)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride (CAS 1261083-89-9) is a chemical compound with the molecular formula C29H42ClNO4 and a molecular weight of 507.1 g/mol. IUPAC name: (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-(trideuteriomethoxy)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride. InChIKey: UAIXRPCCYXNJMQ-STVQZXFISA-N.

Identity
Molecular formulaC29H42ClNO4
Molecular weight507.1 g/mol
IUPAC name(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-(trideuteriomethoxy)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride
InChIKeyUAIXRPCCYXNJMQ-STVQZXFISA-N
SMILES[2H]C([2H])([2H])O[C@]12CC[C@@]3(C[C@@H]1C(C)(C(C)(C)C)O)[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC7CC7.Cl

Computed by PubChem (NCBI)