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Details

Stereochemistry ACHIRAL
Molecular Formula C22H13N3
Molecular Weight 319.3587
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4',4''-METHANETRIYLTRIBENZONITRILE

SMILES

N#CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N

InChI

InChIKey=NIJQDIWAJCTWAB-UHFFFAOYSA-N
InChI=1S/C22H13N3/c23-13-16-1-7-19(8-2-16)22(20-9-3-17(14-24)4-10-20)21-11-5-18(15-25)6-12-21/h1-12,22H

HIDE SMILES / InChI

Molecular Formula C22H13N3
Molecular Weight 319.3587
Charge 0
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 Sat Dec 16 09:59:36 UTC 2023
Edited
by admin
on Sat Dec 16 09:59:36 UTC 2023
Record UNII
95R62HNG30
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4',4''-METHANETRIYLTRIBENZONITRILE
Systematic Name English
BENZONITRILE, 4,4',4''-METHYLIDYNETRIS-
Systematic Name English
LETROZOLE IMPURITY B [EP IMPURITY]
Common Name English
LETROZOLE IMPURITY, 4,4',4''-METHANETRIYLTRIBENZONITRILE- [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
95R62HNG30
Created by admin on Sat Dec 16 09:59:36 UTC 2023 , Edited by admin on Sat Dec 16 09:59:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID10150404
Created by admin on Sat Dec 16 09:59:36 UTC 2023 , Edited by admin on Sat Dec 16 09:59:36 UTC 2023
PRIMARY
PUBCHEM
29933425
Created by admin on Sat Dec 16 09:59:36 UTC 2023 , Edited by admin on Sat Dec 16 09:59:36 UTC 2023
PRIMARY
CAS
113402-31-6
Created by admin on Sat Dec 16 09:59:36 UTC 2023 , Edited by admin on Sat Dec 16 09:59:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP