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Details

Stereochemistry ABSOLUTE
Molecular Formula C58H80N2O14.2Cl
Molecular Weight 1100.1689
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

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

SMILES

C[N@@+]1(CCCOC(=O)CC/C(/[H])=C(\[H])/CCC(=O)OCCC[N@+]2(C)CCc3cc(c(cc3[C@@]2([H])Cc4cc(c(c(c4)OC)OC)OC)OC)OC)CCc5cc(c(cc5[C@@]1([H])Cc6cc(c(c(c6)OC)OC)OC)OC)OC.[Cl-].[Cl-]

InChI

InChIKey=WMSYWJSZGVOIJW-HMYBBXLASA-L
InChI=1S/C58H80N2O14.2ClH/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;2*1H/q+2;;/p-2/b14-13+;;/t45-,46-,59-,60-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.4529
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C58H80N2O14
Molecular Weight 1029.263
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 Jun 26 00:47:12 UTC 2021
Edited
by admin
on Sat Jun 26 00:47:12 UTC 2021
Record UNII
WOF3O2Q6AY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIVACURIUM CHLORIDE, TRANS-TRANS-
Common Name English
TRANS-TRANS-MIVACURIUM CHLORIDE
Common Name 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)-, CHLORIDE (1:2), (1R,1'R,2S,2'S)-
Common Name English
Code System Code Type Description
FDA UNII
WOF3O2Q6AY
Created by admin on Sat Jun 26 00:47:12 UTC 2021 , Edited by admin on Sat Jun 26 00:47:12 UTC 2021
PRIMARY
CAS
104758-51-2
Created by admin on Sat Jun 26 00:47:12 UTC 2021 , Edited by admin on Sat Jun 26 00:47:12 UTC 2021
PRIMARY
PUBCHEM
22839208
Created by admin on Sat Jun 26 00:47:12 UTC 2021 , Edited by admin on Sat Jun 26 00:47:12 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE