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Details

Stereochemistry ABSOLUTE
Molecular Formula C54H74N2O12
Molecular Weight 943.1716
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of 2,2′-[1,6-Hexanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium], (1R,1′R,2R,2′R)-

SMILES

COC1=C(OC)C=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N@@+]4(C)CCC5=CC(OC)=C(OC)C=C5[C@H]4CC6=CC(OC)=C(OC)C=C6)C=C1

InChI

InChIKey=TZXBZWGHRIFMCR-MJQWJGMHSA-N
InChI=1S/C54H74N2O12/c1-55(23-19-39-33-49(63-7)51(65-9)35-41(39)43(55)29-37-15-17-45(59-3)47(31-37)61-5)25-21-53(57)67-27-13-11-12-14-28-68-54(58)22-26-56(2)24-20-40-34-50(64-8)52(66-10)36-42(40)44(56)30-38-16-18-46(60-4)48(32-38)62-6/h15-18,31-36,43-44H,11-14,19-30H2,1-10H3/q+2/t43-,44-,55-,56-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2,2′-[1,6-Hexanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium], (1R,1′R,2R,2′R)-
Common Name English
CISATRACURIUM BESILATE IMPURITY M [EP IMPURITY]
Common Name English
Isoquinolinium, 2,2′-[1,6-hexanediylbis[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)-
Systematic Name English
2,2′-[hexane-1,6-diylbis[oxy(3-oxopropane-3,1-diyl)]]bis[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]
Systematic Name English
Code System Code Type Description
FDA UNII
2THC2Z2PM2
Created by admin on Sat Dec 16 19:46:23 GMT 2023 , Edited by admin on Sat Dec 16 19:46:23 GMT 2023
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PUBCHEM
44251590
Created by admin on Sat Dec 16 19:46:23 GMT 2023 , Edited by admin on Sat Dec 16 19:46:23 GMT 2023
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CAS
1193104-84-5
Created by admin on Sat Dec 16 19:46:23 GMT 2023 , Edited by admin on Sat Dec 16 19:46:23 GMT 2023
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