(1S,2R)-1-(3,4-DIMETHOXYBENZYL)-2-(3-(5-(3-((1R,2R)-1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM-2-YL)PROPANOYLOXY)PENTYLOXY)-3-OXOPROPYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM BENZENESULFONATE

CAS No.
96946-42-8
CCD No.
CCD01960260
Formula
C53 H72 N2 O12 . 2 C7 H7 O3 S
MolWeight
1271.54

Basic Information

Product Name: (1S,2R)-1-(3,4-DIMETHOXYBENZYL)-2-(3-(5-(3-((1R,2R)-1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM-2-YL)PROPANOYLOXY)PENTYLOXY)-3-OXOPROPYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM BENZENESULFONATE
CAS: 96946-42-8
English Synonyms: (1S,2R)-1-(3,4-DIMETHOXYBENZYL)-2-(3-(5-(3-((1R,2R)-1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM-2-YL)PROPANOYLOXY)PENTYLOXY)-3-OXOPROPYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM BENZENESULFONATE ; ATRACURIUM BESYLATE ; CISATRACURIUM (BESYLATE)
MDL Number.: MFCD12912683
H bond acceptor: 14
H bond donor: 0
Smile: Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[N@@+]1(CCc2cc(c(cc2[C@H]1Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N@+]4(CCc5cc(c(cc5[C@@H]4Cc6ccc(c(c6)OC)OC)OC)OC)C
InChi: InChI=1S/C53H72N2O12.2C7H8O3S/c1-54(22-18-38-32-48(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)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*1-6-2-4-7(5-3-6)11(8,9)10/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2/t42-,43+,54-,55-;;/m1../s1
InChiKey: InChIKey=OPIVMDCYJDIKDQ-NVYWYWNDSA-L

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