Products 53152-21-9

CAS 53152-21-9 appears in our catalog under these names: Buprenorphine Hydrochloride, >95% (HPLC), Buprenorphine Hydrochloride, Buprenorphine.HCl, Buprenorphine.HCl, 1mg/ml in Methanol (as free base), BUPRENORPHINE HYDROCHLORIDE, DRUG STANDA. Offered by: TRC, Mikromol, Lipomed, Biosynth, Sigma-Aldrich. Available pack sizes: 10mg, 25mg, 50mg, 250mg, 100mg, 1ml, 10g, 100g.

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

(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-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;hydrochloride (CAS 53152-21-9) is a chemical compound with the molecular formula C29H42ClNO4 and a molecular weight of 504.1 g/mol. IUPAC name: (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-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;hydrochloride. InChIKey: UAIXRPCCYXNJMQ-RZIPZOSSSA-N.

Identity
Molecular formulaC29H42ClNO4
Molecular weight504.1 g/mol
IUPAC name(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-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;hydrochloride
InChIKeyUAIXRPCCYXNJMQ-RZIPZOSSSA-N
SMILESC[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O.Cl

Computed by PubChem (NCBI)