ALTERNATIVE DEFINITION for [MIVACURIUM CHLORIDE]

Details

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

SHOW SMILES / InChI

Structure of ALTERNATIVE DEFINITION for [MIVACURIUM CHLORIDE]

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-ONUALHDOSA-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	35.453
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C58H80N2O14
Molecular Weight	1029.2608
Charge	2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	2 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:37:13 UTC 2023` Edited by `admin` on `Sat Dec 16 16:37:13 UTC 2023`
Record UNII	600ZG213C3
Record Status	`alternative`
Record Version

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					600ZG213C3

MIVACURIUM CHLORIDE

Related Record Type Details


					600ZG213C3

MIVACURIUM CHLORIDE

Primary Definition