Product Code

TRC-D291872

Product Format

Neat

Molecular Formula

C28 D2 H37 N O4

Molecular Weight

455.626

Product Categories

TRC, Opioid receptors, Neurotransmission, Depression, Memory, Learning and Cognition, Addiction, Pain and Inflammation, Stable isotopes, Opiate and Opioid Reference Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

162333-28-0

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Product Information

Chemical Data

Analyte Name

N-Descyclopropyl N-Allyl Buprenorphine-d2

Molecular Formula

C28 D2 H37 N O4

Molecular Weight

455.626

Accurate Mass

455.3

SMILES

[2H]C([2H])(C=C)N1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]26CC[C@@]4(OC)[C@H](C6)C(C)(O)C(C)(C)C)c35

InChI

InChI=1S/C28H39NO4/c1-7-13-29-14-12-27-21-17-8-9-18(30)22(21)33-23(27)28(32-6)11-10-26(27,20(29)15-17)16-19(28)25(5,31)24(2,3)4/h7-9,19-20,23,30-31H,1,10-16H2,2-6H3/t19-,20-,23-,25?,26-,27+,28-/m1/s1/i13D2

IUPAC

(1S,2S,6R,14R,15R,16R)-5-(1,1-dideuterioprop-2-enyl)-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

Unlabelled CAS Number

162333-28-0

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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N-Descyclopropyl N-Allyl Buprenorphine-d2

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