Heroin (1.0 mg/mL in Acetonitrile)

Analyte Name

Heroin

CAS Number

561-27-3

Molecular Formula

C21 H23 N O5

Molecular Weight

369.41

Measured Value

1.0 mg/mL

Accurate Mass

369.1576

SMILES

CN1CC[C@]23[C@H]4Oc5c(OC(=O)C)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C)c35

InChI

InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1

IUPAC

[(4R,4aR,7S,7aR,12bS)-7-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] acetate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile