trans-Monoquaternary Compound

CAT No.

ALN-C130046

CAS No.

Mol. F.

C52H70N2O12 : 2(C6H5O3S)

Mol. Wt.

915.1 : 2(157.2)

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Product Overview

Technical Data

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RFQ

Product Overview

Chemical Name : (1R,2S)-1-(3,4-dimethoxybenzyl)-2-(3-((5-((3-((1R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoyl)oxy)pentyl)oxy)-3-oxopropyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate

Smiles : O=S(C1=CC=CC=C1)([O-])=O.O=S(C2=CC=CC=C2)([O-])=O.C[N@+]3(CCC(OCCCCCOC(CC[NH+]4[C@H](CC5=CC=C(OC)C(OC)=C5)C6=C(C=C(OC)C(OC)=C6)CC4)=O)=O)[C@H](CC7=CC=C(OC)C(OC)=C7)C8=C(C=C(OC)C(OC)=C8)CC3

Inchi : InChI=1S/C52H69N2O12.2C6H6O3S/c1-54(23-19-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-10-11-25-65-51(55)18-22-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;2*7-10(8,9)6-4-2-1-3-5-6/h13-16,29-34,41-42H,10-12,17-28H2,1-9H3;2*1-5H,(H,7,8,9)/q+1;;/p-1/t41-,42-,54-;;/m1../s1

Technical Data