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Details

Stereochemistry MIXED
Molecular Formula C14H25NO3.C2H7NO
Molecular Weight 316.4363
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINOETHANOL 2-(5-METHYL-3-(2,4,4-TRIMETHYLPENTYL)-4,5-DIHYDROISOXAZOL-5-YL)ACETATE

SMILES

NCCO.CC(CC1=NOC(C)(CC(O)=O)C1)CC(C)(C)C

InChI

InChIKey=QJWWMRZTOFNQHK-UHFFFAOYSA-N
InChI=1S/C14H25NO3.C2H7NO/c1-10(7-13(2,3)4)6-11-8-14(5,18-15-11)9-12(16)17;3-1-2-4/h10H,6-9H2,1-5H3,(H,16,17);4H,1-3H2

HIDE SMILES / InChI

Molecular Formula C2H7NO
Molecular Weight 61.0831
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H25NO3
Molecular Weight 255.3532
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:22:26 GMT 2025
Edited
by admin
on Tue Apr 01 16:22:26 GMT 2025
Record UNII
16K299VK6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-(5-METHYL-3-(2,4,4-TRIMETHYLPENTYL)-4,5-DIHYDROISOXAZOL-5-YL)ACETIC ACID) 2-AMINOETHANOL SALT
Preferred Name English
2-AMINOETHANOL 2-(5-METHYL-3-(2,4,4-TRIMETHYLPENTYL)-4,5-DIHYDROISOXAZOL-5-YL)ACETATE
Systematic Name English
PIROCTONE RELATED COMPOUND A [USP-RS]
Common Name English
PIROCTONE RELATED COMPOUND A [USP IMPURITY]
Common Name English
PIROCTONE RELATED COMPOUND A
Common Name English
Code System Code Type Description
PUBCHEM
139032778
Created by admin on Tue Apr 01 16:22:26 GMT 2025 , Edited by admin on Tue Apr 01 16:22:26 GMT 2025
PRIMARY
FDA UNII
16K299VK6W
Created by admin on Tue Apr 01 16:22:26 GMT 2025 , Edited by admin on Tue Apr 01 16:22:26 GMT 2025
PRIMARY
RS_ITEM_NUM
1544417
Created by admin on Tue Apr 01 16:22:26 GMT 2025 , Edited by admin on Tue Apr 01 16:22:26 GMT 2025
PRIMARY