U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H26N2.C16H16O.2Cl.Ru
Molecular Weight 702.72
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1,3-BIS(2,4,6-TRIMETHYLPHENYL)-2-IMIDAZOLIDINYLIDENE)DICHLORO((2-(1-METHYLETHOXY-O)(1,1'-BIPHENYL)-3-YL)METHYLENE-C)RUTHENIUM

SMILES

[Cl-].[Cl-].[Ru+6].CC(C)OC1=C(C=CC=C1[CH--])C2=CC=CC=C2.CC3=CC(C)=C(N4CCN([C--]4)C5=C(C)C=C(C)C=C5C)C(C)=C3

InChI

InChIKey=WIUXSCHENPHUPL-UHFFFAOYSA-L
InChI=1S/C21H26N2.C16H16O.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-12(2)17-16-13(3)8-7-11-15(16)14-9-5-4-6-10-14;;;/h9-12H,7-8H2,1-6H3;3-12H,1-2H3;2*1H;/q2*-2;;;+6/p-2

HIDE SMILES / InChI

Molecular Formula C21H26N2
Molecular Weight 306.4445
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Ru
Molecular Weight 101.07
Charge 6
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H16O
Molecular Weight 224.2976
Charge -2
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 Wed Apr 02 08:01:22 GMT 2025
Edited
by admin
on Wed Apr 02 08:01:22 GMT 2025
Record UNII
AMD48OA9YQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BLECHERT CATALYST
Preferred Name English
(1,3-BIS(2,4,6-TRIMETHYLPHENYL)-2-IMIDAZOLIDINYLIDENE)DICHLORO((2-(1-METHYLETHOXY-O)(1,1'-BIPHENYL)-3-YL)METHYLENE-C)RUTHENIUM
Systematic Name English
RUTHENIUM, (1,3-BIS(2,4,6-TRIMETHYLPHENYL)-2-IMIDAZOLIDINYLIDENE)DICHLORO((2-(1-METHYLETHOXY-.KAPPA.O)(1,1'-BIPHENYL)-3-YL)METHYLENE-.KAPPA.C)-, (SP-5-41)-
Systematic Name English
BLECHERT CATALYST [MI]
Common Name English
Code System Code Type Description
FDA UNII
AMD48OA9YQ
Created by admin on Wed Apr 02 08:01:22 GMT 2025 , Edited by admin on Wed Apr 02 08:01:22 GMT 2025
PRIMARY
MERCK INDEX
m11778
Created by admin on Wed Apr 02 08:01:22 GMT 2025 , Edited by admin on Wed Apr 02 08:01:22 GMT 2025
PRIMARY
CAS
478944-19-3
Created by admin on Wed Apr 02 08:01:22 GMT 2025 , Edited by admin on Wed Apr 02 08:01:22 GMT 2025
PRIMARY