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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10F3NO3
Molecular Weight 273.2079
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0
Stereo Comments Assumed E-isomer (MM2 minimum energy of E and Z are 0.7950 and 28.2087 kcal/mol)

SHOW SMILES / InChI
Structure of GLYCINYL M-(TRIFLUOROMETHYL)CINNAMATE

SMILES

OC(=O)CNC(=O)\C=C\C1=CC(=CC=C1)C(F)(F)F

InChI

InChIKey=JYMGWJYSVGDUQH-SNAWJCMRSA-N
InChI=1S/C12H10F3NO3/c13-12(14,15)9-3-1-2-8(6-9)4-5-10(17)16-7-11(18)19/h1-6H,7H2,(H,16,17)(H,18,19)/b5-4+

HIDE SMILES / InChI

Molecular Formula C12H10F3NO3
Molecular Weight 273.2079
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:15:07 UTC 2023
Edited
by admin
on Sat Dec 16 11:15:07 UTC 2023
Record UNII
M4SJ278R3C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCINYL M-(TRIFLUOROMETHYL)CINNAMATE
Systematic Name English
CINACALCET (M7-GLY)
Common Name English
GLYCINE, N-(1-OXO-3-(3-(TRIFLUOROMETHYL)PHENYL)-2-PROPEN-1-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5889983
Created by admin on Sat Dec 16 11:15:07 UTC 2023 , Edited by admin on Sat Dec 16 11:15:07 UTC 2023
PRIMARY
EPA CompTox
DTXSID30394828
Created by admin on Sat Dec 16 11:15:07 UTC 2023 , Edited by admin on Sat Dec 16 11:15:07 UTC 2023
PRIMARY
CAS
1029092-60-1
Created by admin on Sat Dec 16 11:15:07 UTC 2023 , Edited by admin on Sat Dec 16 11:15:07 UTC 2023
PRIMARY
FDA UNII
M4SJ278R3C
Created by admin on Sat Dec 16 11:15:07 UTC 2023 , Edited by admin on Sat Dec 16 11:15:07 UTC 2023
PRIMARY
CAS
848608-67-3
Created by admin on Sat Dec 16 11:15:07 UTC 2023 , Edited by admin on Sat Dec 16 11:15:07 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
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