CAS 1005411-72-2

Formule : C21H26BrNO6

InChI : InChI=1S/C21H25NO6.BrH/c1-22(9-11-2-3-11)7-6-19-15-12-4-5-13(23)16(15)28-17(19)20(26,18(24)25)10-21(19,27)14(22)8-12;/h4-5,11,14,17,26-27H,2-3,6-10H2,1H3,(H-,23,24,25);1H/t14-,17-,19+,20+,21-,22?;/m1./s1

Code InChI : HJEMADGGAILIIE-XOKXSRNSSA-N

SMILES : C[N+]1(CC[C@]23[C@@H]4[C@@](C[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)(C(=O)O)O)CC6CC6.[Br-]

(4R,4aS,6S,6aR,11bS)-6-Carboxy-3-(cyclopropylmethyl)-1,2,3,4,4a,5,6,6a-octahydro-4a,6,8-trihydroxy-3-methyl-4,11-methanobenzofuro[3',2':2,3]cyclopenta[1,2-c]pyridinium, Inner Salt

Produit contrôlé

CAS : 1005411-72-2

Applications (4R,4aS,6S,6aR,11bS)-6-Carboxy-3-(cyclopropylmethyl)-1,2,3,4,4a,5,6,6a-octahydro-4a,6,8-trihydroxy-3-methyl-4,11-methanobenzofuro[3',2':2,3]cyclopenta[1,2-c]pyridinium, Inner Salt, is an impurity/degradation of N-methyl Naltrexone (M320350), a metabolite of Naltrexone (N285750).
References Wall, M., et al.: Drug Metab. Dispos., 12, 677 (1984), Jones, D., et al.: .: Bioorg. Med. Chem., 13, 6727 ( 2005), Chen, T., et al.: Drugs Future, 32, 771 (2007); Chem. and Eng. News p.4 Jan. 23, (2017)

Formule : C₂₁H₂₅NO₆

Couleur et forme : Neat

Masse moléculaire : 387.43

Ref: TR-C176953

(4R,4aS,6S,6aR,11bS)-6-Carboxy-3-(cyclopropylmethyl)-1,2,3,4,4a,5,6,6a-octahydro-4a,6,8-trihydroxy-3-methyl-4,11-methanobenzofuro[3',2':2,3]cyclopenta[1,2-c]pyridinium Bromide

Produit contrôlé

CAS : 1005411-72-2

Formule : C₂₁H₂₆NO₆·Br

Couleur et forme : Neat

Masse moléculaire : 468.338

Ref: TR-C176950