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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9NO2
Molecular Weight 151.1626
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-4-METHYLBENZOIC ACID

SMILES

CC1=C(N)C=C(C=C1)C(O)=O

InChI

InChIKey=XKFIFYROMAAUDL-UHFFFAOYSA-N
InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,9H2,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C8H9NO2
Molecular Weight 151.1626
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 11:01:08 GMT 2023
Edited
by admin
on Sat Dec 16 11:01:08 GMT 2023
Record UNII
BU165505VM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AMINO-4-METHYLBENZOIC ACID
Systematic Name English
NILOTINIB RELATED COMPOUND C [USP-RS]
Common Name English
NSC-597
Code English
NSC-127033
Code English
NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
2-TOLUIDINE-4-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
75568
Created by admin on Sat Dec 16 11:01:08 GMT 2023 , Edited by admin on Sat Dec 16 11:01:08 GMT 2023
PRIMARY
NSC
127033
Created by admin on Sat Dec 16 11:01:08 GMT 2023 , Edited by admin on Sat Dec 16 11:01:08 GMT 2023
PRIMARY
NSC
597
Created by admin on Sat Dec 16 11:01:08 GMT 2023 , Edited by admin on Sat Dec 16 11:01:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID30179319
Created by admin on Sat Dec 16 11:01:08 GMT 2023 , Edited by admin on Sat Dec 16 11:01:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-543-1
Created by admin on Sat Dec 16 11:01:08 GMT 2023 , Edited by admin on Sat Dec 16 11:01:08 GMT 2023
PRIMARY
FDA UNII
BU165505VM
Created by admin on Sat Dec 16 11:01:08 GMT 2023 , Edited by admin on Sat Dec 16 11:01:08 GMT 2023
PRIMARY
RS_ITEM_NUM
1463457
Created by admin on Sat Dec 16 11:01:08 GMT 2023 , Edited by admin on Sat Dec 16 11:01:08 GMT 2023
PRIMARY
CAS
2458-12-0
Created by admin on Sat Dec 16 11:01:08 GMT 2023 , Edited by admin on Sat Dec 16 11:01:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP