Analyte Name

(S)-N-Cyclopropylmethyl Oripavine Bromide

CAS Number

1252784-93-2

Molecular Formula

C22 H26 N O3 . Br

Molecular Weight

432.35074

Accurate Mass

431.1096

SMILES

O(C)C=1[C@]2([C@]34C=5C(O2)=C(O)C=CC5C[C@](C3=CC1)([N@@+](CC6CC6)(C)CC4)[H])[H].[Br-]

InChI

InChI=1S/C22H25NO3.BrH/c1-23(12-13-3-4-13)10-9-22-15-6-8-18(25-2)21(22)26-20-17(24)7-5-14(19(20)22)11-16(15)23;/h5-8,13,16,21H,3-4,9-12H2,1-2H3;1H/t16-,21+,22+,23+;/m1./s1

IUPAC

(3S,4R,7aR,12bS)-3-(cyclopropylmethyl)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-ol bromide

Alternate CAS Number

free base: 1252973-26-4

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat