Nombre del analito

3-O-Cyclopropylmethylnaltrexone

Número CAS

767615-69-0

Fórmula molecular

C24H29NO4

Peso molecular

395.49

Measured Value

1 mg/mL

Masa exacta

395.2097

SMILES

O[C@]12CCC(=O)[C@@H]3Oc4c(OCC5CC5)ccc6C[C@H]1N(CC7CC7)CC[C@@]23c46

InChI

InChI=1S/C24H29NO4/c26-17-7-8-24(27)19-11-16-5-6-18(28-13-15-3-4-15)21-20(16)23(24,22(17)29-21)9-10-25(19)12-14-1-2-14/h5-6,14-15,19,22,27H,1-4,7-13H2/t19-,22+,23+,24-/m1/s1

IUPAC

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

País de origen

CANADA

Formato del producto

Single Solution

Matriz

Acetonitrile