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Details

Stereochemistry ABSOLUTE
Molecular Formula C58H80N2O14.2Cl
Molecular Weight 1100.167
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

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

SMILES

[Cl-].[Cl-].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=WMSYWJSZGVOIJW-ZGMCMKNOSA-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 C58H80N2O14
Molecular Weight 1029.2608
Charge 2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 22:02:42 UTC 2023
Edited
by admin
on Thu Jul 06 22:02:42 UTC 2023
Record UNII
L96ZIP3K2V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIVACURIUM CHLORIDE, CIS-CIS-
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,2R,2'R)-
Common Name English
MIVACURIUM CHLORIDE, (E)-CIS-CIS-
Common Name English
BW1217U84 CHLORIDE
Code English
CIS-CIS-MIVACURIUM CHLORIDE
Common Name English
MIVACURIUM CHLORIDE (CIS/CIS)
Common Name English
BW-1217U84 CHLORIDE
Code English
Code System Code Type Description
CAS
107740-65-8
Created by admin on Thu Jul 06 22:02:42 UTC 2023 , Edited by admin on Thu Jul 06 22:02:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID60873353
Created by admin on Thu Jul 06 22:02:42 UTC 2023 , Edited by admin on Thu Jul 06 22:02:42 UTC 2023
PRIMARY
FDA UNII
L96ZIP3K2V
Created by admin on Thu Jul 06 22:02:42 UTC 2023 , Edited by admin on Thu Jul 06 22:02:42 UTC 2023
PRIMARY
PUBCHEM
22839210
Created by admin on Thu Jul 06 22:02:42 UTC 2023 , Edited by admin on Thu Jul 06 22:02:42 UTC 2023
PRIMARY
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