U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H17BrN2
Molecular Weight 305.213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-BROMOMETHYL ANASTROZOLE

SMILES

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

InChI

InChIKey=IHXHGCDOJLOZML-UHFFFAOYSA-N
InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C15H17BrN2
Molecular Weight 305.213
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 10:50:10 GMT 2023
Edited
by admin
on Sat Dec 16 10:50:10 GMT 2023
Record UNII
OIS19A3U1G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-BROMOMETHYL ANASTROZOLE
Common Name English
3,5-BIS(2-CYANOPROP-2-YL)BENZYL BROMIDE
Common Name English
ANASTROZOLE IMPURITY C [EP IMPURITY]
Common Name English
2,2-(5-(BROMOMETHYL)BENZENE-1,3-DIYL)BIS(2-METHYLPROPANENITRILE)
Systematic Name English
5-BROMOMETHYL ANASTROZOLE [USP IMPURITY]
Common Name English
2,2'-(5-(BROMOMETHYL)-1,3-PHENYLENE)BIS(2-METHYLPROPANENITRILE)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30468018
Created by admin on Sat Dec 16 10:50:10 GMT 2023 , Edited by admin on Sat Dec 16 10:50:10 GMT 2023
PRIMARY
FDA UNII
OIS19A3U1G
Created by admin on Sat Dec 16 10:50:10 GMT 2023 , Edited by admin on Sat Dec 16 10:50:10 GMT 2023
PRIMARY
PUBCHEM
11522359
Created by admin on Sat Dec 16 10:50:10 GMT 2023 , Edited by admin on Sat Dec 16 10:50:10 GMT 2023
PRIMARY
CAS
120511-84-4
Created by admin on Sat Dec 16 10:50:10 GMT 2023 , Edited by admin on Sat Dec 16 10:50:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP