Atracurium for peak identification CRS
Product Code
EPY0000504
CAS Number
Product Format
Mixture
Molecular Formula
C53 H72 N2 O12 . 2 C6 H5 O3 S
Molecular Weight
1243.48
API Family
Atracurium BesilateProduct Categories
Product Type
OtherPrice and availability
Product Information
Product Data
Analyte Name
Atracurium besilate
CAS Number
64228-81-5
Molecular Formula
C53 H72 N2 O12 . 2 C6 H5 O3 S
Molecular Weight
1243.48
Accurate Mass
1242.5004
Flash Point
5.0
SMILES
COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC.[O-]S(=O)(=O)c7ccccc7.[O-]S(=O)(=O)c8ccccc8
InChI
InChI=1S/C53H72N2O12.2C6H6O3S/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*1-5H,(H,7,8,9)/q+2, , 2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3, /p-2
IUPAC
benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Storage & Transport Information
Storage Temperature
2-8C Fridge/Coldroom
Shipping Temperature
+5°C
Country of Origin
FRANCE
Tariff Code
29333999
Product Attributes
Product Type
Other
Product Format
Mixture
API Family
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