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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16N2
Molecular Weight 200.2795
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMIDITRAZ

SMILES

C[C@H](C1=NC=CN1)C2=CC=CC(C)=C2C

InChI

InChIKey=FXJRDUKXWHFPND-NSHDSACASA-N
InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-14-7-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H16N2
Molecular Weight 200.2795
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:49:04 GMT 2023
Edited
by admin
on Fri Dec 15 16:49:04 GMT 2023
Record UNII
CPE66M90J5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEMIDITRAZ
INN   USAN  
INN   USAN  
Official Name English
1H-IMIDAZOLE, 2-((1S)-1-(2,3-DIMETHYLPHENYL)ETHYL)-
Systematic Name English
PF-3814927
Code English
DEMIDITRAZ [USAN]
Common Name English
2-[(1S)-1-(2,3-Dimethylphenyl)ethyl]-1H-imidazole
Systematic Name English
demiditraz [INN]
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 577501
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
Code System Code Type Description
SMS_ID
300000034110
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
NCI_THESAURUS
C171730
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
INN
9041
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
PUBCHEM
24738933
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
ChEMBL
CHEMBL2103848
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
CAS
944263-65-4
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
FDA UNII
CPE66M90J5
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
USAN
XX-29
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID50241481
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY