Buprenorphine (1mg/ml in Acetonitrile)

Analyte Name

Buprenorphine

CAS Number

52485-79-7

Molecular Formula

C29 H41 N O4

Molecular Weight

467.64

Measured Value

1 mg/mL

Accurate Mass

467.3036

SMILES

CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56

InChI

InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29?/m1/s1

IUPAC

[5a,7a(S)]-17-(Cyclopropylmethyl)-a-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a-methyl-6,14-ethenomorphinan-7-methanol

Alternate CAS Number

Hydrochloride salt: 53152-21-9

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile