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Details

Stereochemistry ACHIRAL
Molecular Formula C15H18N2
Molecular Weight 226.3168
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANASTROZOLE 5-METHYL ANALOG

SMILES

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

InChI

InChIKey=SJECEXNMZXMXNE-UHFFFAOYSA-N
InChI=1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3

HIDE SMILES / InChI
Molecular Formula C15H18N2
Molecular Weight 226.3168
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:27:53 GMT 2025
Edited
by admin
on Mon Mar 31 23:27:53 GMT 2025
Record UNII
3E89N64V9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANASTROZOLE 5-METHYL ANALOG [USP IMPURITY]
Preferred Name English
ANASTROZOLE 5-METHYL ANALOG
Common Name English
ANASTROZOLE RELATED COMPOUND A [USP-RS]
Common Name English
2,2'-(5-METHYL-1,3-PHENYLENE)BIS(2-METHYLPROPANENITRILE)
Systematic Name English
ANASTROZOLE IMPURITY H [EP IMPURITY]
Common Name English
1,3-BENZENEDIACETONITRILE, .ALPHA.1,.ALPHA.1,.ALPHA.3,.ALPHA.3,5-PENTAMETHYL-
Systematic Name English
ANASTROZOLE RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
16005484
Created by admin on Mon Mar 31 23:27:53 GMT 2025 , Edited by admin on Mon Mar 31 23:27:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID40581005
Created by admin on Mon Mar 31 23:27:53 GMT 2025 , Edited by admin on Mon Mar 31 23:27:53 GMT 2025
PRIMARY
RS_ITEM_NUM
1034818
Created by admin on Mon Mar 31 23:27:53 GMT 2025 , Edited by admin on Mon Mar 31 23:27:53 GMT 2025
PRIMARY
CAS
120511-72-0
Created by admin on Mon Mar 31 23:27:53 GMT 2025 , Edited by admin on Mon Mar 31 23:27:53 GMT 2025
PRIMARY
FDA UNII
3E89N64V9Z
Created by admin on Mon Mar 31 23:27:53 GMT 2025 , Edited by admin on Mon Mar 31 23:27:53 GMT 2025
PRIMARY
SMS_ID
300000053088
Created by admin on Mon Mar 31 23:27:53 GMT 2025 , Edited by admin on Mon Mar 31 23:27:53 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)
EP
NIH
NCATS
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