Analyte Name

N-Methylnorbuprenorphine 3-Methyl Ether

CAS Number

16196-70-6

Molecular Formula

C27 H39 N O4

Molecular Weight

441.603

Accurate Mass

441.288

SMILES

COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]6(CC[C@@]35C[C@@H]6C(C)(O)C(C)(C)C)OC

InChI

InChI=1S/C27H39NO4/c1-23(2,3)24(4,29)18-15-25-10-11-27(18,31-7)22-26(25)12-13-28(5)19(25)14-16-8-9-17(30-6)21(32-22)20(16)26/h8-9,18-19,22,29H,10-15H2,1-7H3/t18-,19-,22-,24?,25-,26+,27-/m1/s1

IUPAC

2-[(1S,2S,6R,14R,15R,16R)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule

Product Format

Neat