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Details

Stereochemistry RACEMIC
Molecular Formula C16H17N5
Molecular Weight 279.3397
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYL ANASTROZOLE

SMILES

CC(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N

InChI

InChIKey=LXXANTDQIIXQBZ-UHFFFAOYSA-N
InChI=1S/C16H17N5/c1-12(7-17)14-4-13(8-21-11-19-10-20-21)5-15(6-14)16(2,3)9-18/h4-6,10-12H,8H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C16H17N5
Molecular Weight 279.3397
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 05:57:21 GMT 2025
Edited
by admin
on Wed Apr 02 05:57:21 GMT 2025
Record UNII
8B4ZL030W6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANASTROZOLE IMPURITY A [EP IMPURITY]
Preferred Name English
DESMETHYL ANASTROZOLE
Common Name English
2-(3-((1RS)-1-CYANOETHYL)-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL)-2-METHYLPROPANENITRILE
Systematic Name English
1,3-BENZENEDIACETONITRILE, .ALPHA.1,.ALPHA.1,.ALPHA.3-TRIMETHYL-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-
Systematic Name English
DESMETHYL ANASTROZOLE [USP IMPURITY]
Common Name English
2-(3-(1-CYANOETHYL)-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL)-2-METHYLPROPIONITRILE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10720409
Created by admin on Wed Apr 02 05:57:21 GMT 2025 , Edited by admin on Wed Apr 02 05:57:21 GMT 2025
PRIMARY
FDA UNII
8B4ZL030W6
Created by admin on Wed Apr 02 05:57:21 GMT 2025 , Edited by admin on Wed Apr 02 05:57:21 GMT 2025
PRIMARY
CAS
1215780-15-6
Created by admin on Wed Apr 02 05:57:21 GMT 2025 , Edited by admin on Wed Apr 02 05:57:21 GMT 2025
PRIMARY
SMS_ID
300000053235
Created by admin on Wed Apr 02 05:57:21 GMT 2025 , Edited by admin on Wed Apr 02 05:57:21 GMT 2025
PRIMARY
PUBCHEM
57149578
Created by admin on Wed Apr 02 05:57:21 GMT 2025 , Edited by admin on Wed Apr 02 05:57:21 GMT 2025
PRIMARY
Related Record Type Details
Structure of ANASTROZOLE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ANASTROZOLE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
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