MIVACURIUM CHLORIDE, TRANS-TRANS-

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, TRANS-TRANS-

Structure Search

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-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	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 `Sat Dec 16 16:38:50 GMT 2023` Edited by `admin` on `Sat Dec 16 16:38:50 GMT 2023`
Record UNII	WOF3O2Q6AY
Record Status	`Validated (UNII)`
Record Version

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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

EPA CompTox

DTXSID50873342

Created by admin on Sat Dec 16 16:38:50 GMT 2023 , Edited by admin on Sat Dec 16 16:38:50 GMT 2023

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FDA UNII

WOF3O2Q6AY

Created by admin on Sat Dec 16 16:38:50 GMT 2023 , Edited by admin on Sat Dec 16 16:38:50 GMT 2023

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CAS

104758-51-2

Created by admin on Sat Dec 16 16:38:50 GMT 2023 , Edited by admin on Sat Dec 16 16:38:50 GMT 2023

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PUBCHEM

22839208

Created by admin on Sat Dec 16 16:38:50 GMT 2023 , Edited by admin on Sat Dec 16 16:38:50 GMT 2023

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