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Details

Stereochemistry ACHIRAL
Molecular Formula C17H22N4O3
Molecular Weight 330.3816
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-AMINO-1,1-DIMETHYL-2-OXOETHYL)-ALPHA,ALPHA-DIMETHYL-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZENEACETIC ACID

SMILES

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

InChI

InChIKey=XHGMJOHNUGUJDB-UHFFFAOYSA-N
InChI=1S/C17H22N4O3/c1-16(2,14(18)22)12-5-11(8-21-10-19-9-20-21)6-13(7-12)17(3,4)15(23)24/h5-7,9-10H,8H2,1-4H3,(H2,18,22)(H,23,24)

HIDE SMILES / InChI

Molecular Formula C17H22N4O3
Molecular Weight 330.3816
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 10:50:08 GMT 2023
Edited
by admin
on Sat Dec 16 10:50:08 GMT 2023
Record UNII
JQY2PW8NK9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-AMINO-1,1-DIMETHYL-2-OXOETHYL)-ALPHA,ALPHA-DIMETHYL-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZENEACETIC ACID
Common Name English
3-(2-AMINO-1,1-DIMETHYL-2-OXOETHYL)-.ALPHA.,.ALPHA.-DIMETHYL-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-BENZENEACETIC ACID
Common Name English
BENZENEACETIC ACID, 3-(2-AMINO-1,1-DIMETHYL-2-OXOETHYL)-.ALPHA.,.ALPHA.-DIMETHYL-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-
Common Name English
Code System Code Type Description
PUBCHEM
139024519
Created by admin on Sat Dec 16 10:50:08 GMT 2023 , Edited by admin on Sat Dec 16 10:50:08 GMT 2023
PRIMARY
CAS
2469244-33-3
Created by admin on Sat Dec 16 10:50:08 GMT 2023 , Edited by admin on Sat Dec 16 10:50:08 GMT 2023
PRIMARY
FDA UNII
JQY2PW8NK9
Created by admin on Sat Dec 16 10:50:08 GMT 2023 , Edited by admin on Sat Dec 16 10:50:08 GMT 2023
PRIMARY