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Details

Stereochemistry ACHIRAL
Molecular Formula C14H23N5O3
Molecular Weight 309.3641
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(2-(DIETHYLAMINO)ETHOXY)-CAFFEINE

SMILES

CCN(CC)CCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=CJFBPYHVVXKJQQ-UHFFFAOYSA-N
InChI=1S/C14H23N5O3/c1-6-19(7-2)8-9-22-13-15-11-10(16(13)3)12(20)18(5)14(21)17(11)4/h6-9H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C14H23N5O3
Molecular Weight 309.3641
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 12:42:55 GMT 2023
Edited
by admin
on Sat Dec 16 12:42:55 GMT 2023
Record UNII
PK2VF63HBM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-(2-(DIETHYLAMINO)ETHOXY)-CAFFEINE
Systematic Name English
NSC-14317
Code English
8-(2-(DIETHYLAMINO)ETHOXY)-3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
Systematic Name English
CAFFEINE, 8-(2-(DIETHYLAMINO)ETHOXY)-
Systematic Name English
1H-PURINE-2,6-DIONE, 8-(2-(DIETHYLAMINO)ETHOXY)-3,7-DIHYDRO-1,3,7-TRIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90202617
Created by admin on Sat Dec 16 12:42:55 GMT 2023 , Edited by admin on Sat Dec 16 12:42:55 GMT 2023
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NSC
14317
Created by admin on Sat Dec 16 12:42:55 GMT 2023 , Edited by admin on Sat Dec 16 12:42:55 GMT 2023
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PUBCHEM
21550
Created by admin on Sat Dec 16 12:42:55 GMT 2023 , Edited by admin on Sat Dec 16 12:42:55 GMT 2023
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CAS
5426-72-2
Created by admin on Sat Dec 16 12:42:55 GMT 2023 , Edited by admin on Sat Dec 16 12:42:55 GMT 2023
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FDA UNII
PK2VF63HBM
Created by admin on Sat Dec 16 12:42:55 GMT 2023 , Edited by admin on Sat Dec 16 12:42:55 GMT 2023
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