CAS Registry Number®
96946-42-8
CAS Name
Cisatracurium besylate
Molecular Formula
C53H72N2O12.2C6H5O3S
Other Names and Identifiers
InChI
InChI=1S/C53H72N2O12.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;1-5H,(H,7,8,9)/q+2;/p-1
InChIKey
InChIKey=GLLXELVDCIFBPA-UHFFFAOYSA-M
SMILES
S(=O)(=O)([O-])C1=CC=CC=C1.C(C1C=2C(=CC(OC)=C(OC)C2)CC[N+]1(CCC(OCCCCCOC(CC[N+]3(C)C(CC4=CC(OC)=C(OC)C=C4)C=5C(CC3)=CC(OC)=C(OC)C5)=O)=O)C)C6=CC(OC)=C(OC)C=C6
Canonical SMILES
O=C(OCCCCCOC(=O)CC[N+]1(C)CCC2=CC(OC)=C(OC)C=C2C1CC3=CC=C(OC)C(OC)=C3)CC[N+]4(C)CCC5=CC(OC)=C(OC)C=C5C4CC6=CC=C(OC)C(OC)=C6.O=S(=O)([O-])C=1C=CC=CC1
Other Names for this Substance
- Isoquinolinium, 2,2′-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1R,1′R,2R,2′R)-, benzenesulfonate (1:2)
- Isoquinolinium, 2,2′-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, [1R-[1α,2α(1′R*,2′R*)]]-, dibenzenesulfonate
- Isoquinolinium, 2,2′-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, (1R,1′R,2R,2′R)-, dibenzenesulfonate
- 51W89
- Cisatracurium besylate
- Cisatracurium besilate
- Nimbex
- Nimbex (pharmaceutical)
Deleted or Replaced CAS Registry Numbers
1055202-35-1
