Atracurium
CAS Registry Number®
64228-79-1
No image available.
CAS Name
AtracuriumMolecular Formula
C53H72N2O12Cite this Page
Atracurium. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=64228-79-1 (retrieved ) (CAS RN: 64228-79-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C53H72N2O12/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/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2
InChIKey
InChIKey=YXSLJKQTIDHPOT-UHFFFAOYSA-N
SMILES
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
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-
- 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-methylisoquinolinium]
- Atracurium
