Opiate Multi-component Mixture-5 (mixture of Codeine, Hydrocodone, Meperidine, (±)-Methadone and Oxycodone, 250 μg/mL of each component in methanol)

Numero CAS

76-99-3

CAS alternativo

-

CAS non marcato

-

Formula molecolare

C21 H27 N O

Peso molecolare

309.45

Massa accurata

309.2093

SMILES

CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2

InChI

InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3

IUPAC

6-(dimethylamino)-4,4-diphenylheptan-3-one

Numero CAS

76-57-3

CAS alternativo

-

CAS non marcato

-

Formula molecolare

C18 H21 N O3

Peso molecolare

299.36

Massa accurata

299.1521

SMILES

COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C

InChI

InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1

IUPAC

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

Numero CAS

125-29-1

CAS alternativo

-

CAS non marcato

-

Formula molecolare

C18 H21 N O3

Peso molecolare

299.36

Massa accurata

299.1521

SMILES

COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C

InChI

InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1

IUPAC

(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one

Numero CAS

57-42-1

CAS alternativo

-

CAS non marcato

-

Formula molecolare

C15 H21 N O2

Peso molecolare

247.33

Massa accurata

247.1572

SMILES

CCOC(=O)C1(CCN(C)CC1)c2ccccc2

InChI

InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3

IUPAC

ethyl 1-methyl-4-phenylpiperidine-4-carboxylate

Numero CAS

76-42-6

CAS alternativo

-

CAS non marcato

-

Formula molecolare

C18 H21 N O4

Peso molecolare

315.36

Massa accurata

315.1471

SMILES

COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

InChI

InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1

IUPAC

(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one