Product Code

TRC-KIT3855-1ML

CAS Number

16614-60-1

Product Format

Single Solution

Matrix

Acetonitrile

Molecular Formula

C27 H36 N2 O4

Molecular Weight

452.59

Product Categories

TRC, Impurity Reference Materials

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

N-Cyano-3-O-methyl Norbuprenorphine

CAS Number

16614-60-1

Molecular Formula

C27 H36 N2 O4

Molecular Weight

452.59

Measured Value

1 mg/mL

Accurate Mass

452.2675

SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-23(2,3)24(4,30)18-14-25-9-10-27(18,32-6)22-26(25)11-12-29(15-28)19(25)13-16-7-8-17(31-5)21(33-22)20(16)26/h7-8,18-19,22,30H,9-14H2,1-6H3/t18-,19-,22-,24+,25-,26+,27?/m1/s1

IUPAC

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

Product Data

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile

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N-Cyano-3-O-methyl Norbuprenorphine (1 mg/ml in Acetonitrile)

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