U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C56H76N2O14
Molecular Weight 1001.2076
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of (1R,1R,2R,2R)-2,2-(3,7,15-TRIOXO-4,8,14-TRIOXA-HEPTADECAMETHYLENE)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)CCOC(=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=HJDXFQSAPYICPZ-QGBSGFFXSA-N
InChI=1S/C56H76N2O14/c1-57(23-18-40-34-50(66-7)52(68-9)36-42(40)44(57)30-38-14-16-46(62-3)48(32-38)64-5)25-20-54(59)70-27-12-11-13-28-71-56(61)22-29-72-55(60)21-26-58(2)24-19-41-35-51(67-8)53(69-10)37-43(41)45(58)31-39-15-17-47(63-4)49(33-39)65-6/h14-17,32-37,44-45H,11-13,18-31H2,1-10H3/q+2/t44-,45-,57-,58-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(1R,1R,2R,2R)-2,2-(3,7,15-TRIOXO-4,8,14-TRIOXA-HEPTADECAMETHYLENE)BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-VERATRYLISOQUINOLINIUM)
Systematic Name English
CIS-CIS-TRIESTER ANALOG [USP IMPURITY]
Common Name English
CISATRACURIUM BESILATE IMPURITY L [EP IMPURITY]
Common Name English
(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-2-[3-[3-[[5-[[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl]oxy]pentyl]oxy]-3-oxopropoxy]-3-oxopropyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoqu
Systematic Name English
Code System Code Type Description
FDA UNII
Q3HR71947T
Created by admin on Sat Dec 16 15:44:45 GMT 2023 , Edited by admin on Sat Dec 16 15:44:45 GMT 2023
PRIMARY
PUBCHEM
154733603
Created by admin on Sat Dec 16 15:44:45 GMT 2023 , Edited by admin on Sat Dec 16 15:44:45 GMT 2023
PRIMARY