8,8'-ETHYLENEDITHEOPHYLLINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H18N8O4
Molecular Weight	386.3653
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8,8'-ETHYLENEDITHEOPHYLLINE

Structure Search

SMILES

CN1C2=C(N=C(CCC3=NC4=C(N3)N(C)C(=O)N(C)C4=O)N2)C(=O)N(C)C1=O

InChI

InChIKey=AZDQOGJHRRZXFQ-UHFFFAOYSA-N

InChI=1S/C16H18N8O4/c1-21-11-9(13(25)23(3)15(21)27)17-7(19-11)5-6-8-18-10-12(20-8)22(2)16(28)24(4)14(10)26/h5-6H2,1-4H3,(H,17,19)(H,18,20)

HIDE SMILES / InChI

Molecular Formula	C16H18N8O4
Molecular Weight	386.3653
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 12:58:48 GMT 2023` Edited by `admin` on `Sat Dec 16 12:58:48 GMT 2023`
Record UNII	TJL0P2H9N1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

8,8'-ETHYLENEDITHEOPHYLLINE

Systematic Name

English

1H-PURINE-2,6-DIONE, 8,8'-(1,2-ETHANEDIYL)BIS(3,7-DIHYDRO-1,3-DIMETHYL-

Systematic Name

English

NSC-14404

Code

English

THEOPHYLLINE, 8,8'-ETHYLENEBIS-

Systematic Name

English

Code System Code Type Description

CAS

1784-67-4

Created by admin on Sat Dec 16 12:58:48 GMT 2023 , Edited by admin on Sat Dec 16 12:58:48 GMT 2023

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NSC

14404

Created by admin on Sat Dec 16 12:58:48 GMT 2023 , Edited by admin on Sat Dec 16 12:58:48 GMT 2023

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EPA CompTox

DTXSID50170469

Created by admin on Sat Dec 16 12:58:48 GMT 2023 , Edited by admin on Sat Dec 16 12:58:48 GMT 2023

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FDA UNII

TJL0P2H9N1

Created by admin on Sat Dec 16 12:58:48 GMT 2023 , Edited by admin on Sat Dec 16 12:58:48 GMT 2023

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PUBCHEM

95038

Created by admin on Sat Dec 16 12:58:48 GMT 2023 , Edited by admin on Sat Dec 16 12:58:48 GMT 2023

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