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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19N3O5
Molecular Weight 369.3713
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL 5-ISOPROPYL 4-(2,1,3-BENZOXADIAZOL-4-YL)-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE

SMILES

COC(=O)C1=C(C2=CC=CC3=NON=C23)C(C(=O)OC(C)C)=C(C)N=C1C

InChI

InChIKey=XXUCEEUFISNYCI-UHFFFAOYSA-N
InChI=1S/C19H19N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9H,1-5H3

HIDE SMILES / InChI

Molecular Formula C19H19N3O5
Molecular Weight 369.3713
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 11:19:39 UTC 2023
Edited
by admin
on Sat Dec 16 11:19:39 UTC 2023
Record UNII
JPS7AGG1GU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL 5-ISOPROPYL 4-(2,1,3-BENZOXADIAZOL-4-YL)-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE
Systematic Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2,1,3-BENZOXADIAZOL-4-YL)-2,6-DIMETHYL-, 3-METHYL 5-(1-METHYLETHYL) ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
JPS7AGG1GU
Created by admin on Sat Dec 16 11:19:39 UTC 2023 , Edited by admin on Sat Dec 16 11:19:39 UTC 2023
PRIMARY
PUBCHEM
10406778
Created by admin on Sat Dec 16 11:19:39 UTC 2023 , Edited by admin on Sat Dec 16 11:19:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID50439442
Created by admin on Sat Dec 16 11:19:39 UTC 2023 , Edited by admin on Sat Dec 16 11:19:39 UTC 2023
PRIMARY
CAS
116169-18-7
Created by admin on Sat Dec 16 11:19:39 UTC 2023 , Edited by admin on Sat Dec 16 11:19:39 UTC 2023
PRIMARY
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