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Details

Stereochemistry ABSOLUTE
Molecular Formula C58H80N2O14
Molecular Weight 1029.2608
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 2

SHOW SMILES / InChI
Structure of MIVACURIUM, TRANS-TRANS-

SMILES

COC1=CC2=C(C=C1OC)[C@@H](CC3=CC(OC)=C(OC)C(OC)=C3)[N@+](C)(CCCOC(=O)CC\C=C\CCC(=O)OCCC[N@+]4(C)CCC5=C(C=C(OC)C(OC)=C5)[C@H]4CC6=CC(OC)=C(OC)C(OC)=C6)CC2

InChI

InChIKey=ILVYCEVXHALBSC-HBJABBCZSA-N
InChI=1S/C58H80N2O14/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10/h13-14,31-38,45-46H,15-30H2,1-12H3/q+2/b14-13+/t45-,46-,59-,60-/m1/s1

HIDE SMILES / InChI

Molecular Formula C58H80N2O14
Molecular Weight 1029.2608
Charge 2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:38:49 UTC 2023
Edited
by admin
on Sat Dec 16 16:38:49 UTC 2023
Record UNII
294JG9B7GL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIVACURIUM, TRANS-TRANS-
Common Name English
BW-1309U83
Code English
TRANS-TRANS-MIVACURIUM
Common Name English
BW1309U83
Code English
ISOQUINOLINIUM, 2,2'-(((4E)-1,8-DIOXO-4-OCTENE-1,8-DIYL)BIS(OXY-3,1-PROPANEDIYL))BIS(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, (1R,1'R,2S,2'S)-
Common Name English
MIVACURIUM, (E)-TRANS-TRANS-
Common Name English
Code System Code Type Description
FDA UNII
294JG9B7GL
Created by admin on Sat Dec 16 16:38:49 UTC 2023 , Edited by admin on Sat Dec 16 16:38:49 UTC 2023
PRIMARY
PUBCHEM
22839207
Created by admin on Sat Dec 16 16:38:49 UTC 2023 , Edited by admin on Sat Dec 16 16:38:49 UTC 2023
PRIMARY
CAS
771435-46-2
Created by admin on Sat Dec 16 16:38:49 UTC 2023 , Edited by admin on Sat Dec 16 16:38:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID70873349
Created by admin on Sat Dec 16 16:38:49 UTC 2023 , Edited by admin on Sat Dec 16 16:38:49 UTC 2023
PRIMARY
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