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Details

Stereochemistry ABSOLUTE
Molecular Formula C53H72N2O12
Molecular Weight 929.145
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of (1R,1R,2S,2S)-2,2-(3,11-DIOXO-4,10-DIOXATRIDECAMETHYLENE)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM).

SMILES

COC1=CC=C(C[C@@H]2C3=C(CC[N@@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@+]4(C)CCC5=C(C=C(OC)C(OC)=C5)[C@H]4CC6=CC=C(OC)C(OC)=C6)C=C(OC)C(OC)=C3)C=C1OC

InChI

InChIKey=YXSLJKQTIDHPOT-FTDNCABPSA-N
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/t42-,43-,54+,55+/m1/s1

HIDE SMILES / InChI
Molecular Formula C53H72N2O12
Molecular Weight 929.145
Charge 2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:32:12 GMT 2023
Edited
by admin
on Sat Dec 16 15:32:12 GMT 2023
Record UNII
7VP7M3X5I7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1R,1R,2S,2S)-2,2-(3,11-DIOXO-4,10-DIOXATRIDECAMETHYLENE)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM).
Systematic Name English
R-TRANS-R'-TRANS-ATRACURIUM [USP IMPURITY]
Common Name English
2,2′-[pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]]bis[(1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]
Systematic Name English
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,2β(1′R*,2′S*)]]-
Systematic Name English
CISATRACURIUM BESILATE IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
7VP7M3X5I7
Created by admin on Sat Dec 16 15:32:13 GMT 2023 , Edited by admin on Sat Dec 16 15:32:13 GMT 2023
PRIMARY
PUBCHEM
73416102
Created by admin on Sat Dec 16 15:32:13 GMT 2023 , Edited by admin on Sat Dec 16 15:32:13 GMT 2023
PRIMARY
CAS
96946-45-1
Created by admin on Sat Dec 16 15:32:13 GMT 2023 , Edited by admin on Sat Dec 16 15:32:13 GMT 2023
PRIMARY
Related Record Type Details
Structure of (1R,1R,2S,2S)-2,2-(3,11-DIOXO-4,10-DIOXATRIDECAMETHYLENE)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM).
IONIC MOIETY
Related Record Type Details
Structure of CISATRACURIUM BESYLATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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