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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N2O
Molecular Weight 176.2151
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one

SMILES

CN(C)\C=C\C(=O)C1=CC=CN=C1

InChI

InChIKey=MZLRFUCMBQWLNV-FNORWQNLSA-N
InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3/b7-5+

HIDE SMILES / InChI

Molecular Formula C10H12N2O
Molecular Weight 176.2151
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:19:35 GMT 2023
Edited
by admin
on Sat Dec 16 11:19:35 GMT 2023
Record UNII
MD6L0C82BN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2E)-3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one
Systematic Name English
IMATINIB MESILATE IMPURITY A [EP IMPURITY]
Common Name English
AMINOVINYL NICOTINONE [USP IMPURITY]
Common Name English
IMATINIB RELATED COMPOUND A [USP IMPURITY]
Common Name English
2-Propen-1-one, 3-(dimethylamino)-1-(3-pyridinyl)-, (2E)-
Systematic Name English
Code System Code Type Description
CAS
123367-26-0
Created by admin on Sat Dec 16 11:19:36 GMT 2023 , Edited by admin on Sat Dec 16 11:19:36 GMT 2023
PRIMARY
PUBCHEM
5369165
Created by admin on Sat Dec 16 11:19:36 GMT 2023 , Edited by admin on Sat Dec 16 11:19:36 GMT 2023
PRIMARY
CAS
55314-16-4
Created by admin on Sat Dec 16 11:19:36 GMT 2023 , Edited by admin on Sat Dec 16 11:19:36 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
MD6L0C82BN
Created by admin on Sat Dec 16 11:19:36 GMT 2023 , Edited by admin on Sat Dec 16 11:19:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID501259390
Created by admin on Sat Dec 16 11:19:36 GMT 2023 , Edited by admin on Sat Dec 16 11:19:36 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY