8-(2-(DIETHYLAMINO)ETHOXY)-CAFFEINE

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NCATS

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

Structure Search

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

Approval Year

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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SUBSTANCE RECORD


					PK2VF63HBM

8-(2-(DIETHYLAMINO)ETHOXY)-CAFFEINE