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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11NO2
Molecular Weight 165.1891
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-AMINO-4-METHYLBENZOATE

SMILES

COC(=O)C1=CC=C(C)C(N)=C1

InChI

InChIKey=YEPWCJHMSVABPQ-UHFFFAOYSA-N
InChI=1S/C9H11NO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H11NO2
Molecular Weight 165.1891
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 10:41:16 UTC 2023
Edited
by admin
on Sat Dec 16 10:41:16 UTC 2023
Record UNII
CUK1YN8P3C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 3-AMINO-4-METHYLBENZOATE
Systematic Name English
NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY B [EP IMPURITY]
Common Name English
BENZOIC ACID, 3-AMINO-4-METHYL-, METHYL ESTER
Systematic Name English
NSC-356832
Code English
Code System Code Type Description
NSC
356832
Created by admin on Sat Dec 16 10:41:16 UTC 2023 , Edited by admin on Sat Dec 16 10:41:16 UTC 2023
PRIMARY
PUBCHEM
337778
Created by admin on Sat Dec 16 10:41:16 UTC 2023 , Edited by admin on Sat Dec 16 10:41:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID90320269
Created by admin on Sat Dec 16 10:41:16 UTC 2023 , Edited by admin on Sat Dec 16 10:41:16 UTC 2023
PRIMARY
CAS
18595-18-1
Created by admin on Sat Dec 16 10:41:16 UTC 2023 , Edited by admin on Sat Dec 16 10:41:16 UTC 2023
PRIMARY
FDA UNII
CUK1YN8P3C
Created by admin on Sat Dec 16 10:41:16 UTC 2023 , Edited by admin on Sat Dec 16 10:41:16 UTC 2023
PRIMARY
RS_ITEM_NUM
1463440
Created by admin on Sat Dec 16 10:41:16 UTC 2023 , Edited by admin on Sat Dec 16 10:41:16 UTC 2023
PRIMARY
Related Record Type Details
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EP
PARENT -> IMPURITY