THEOPHYLLINE-8-BUTYRIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14N4O4
Molecular Weight	266.2533
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THEOPHYLLINE-8-BUTYRIC ACID

Structure Search

SMILES

CN1C2=C(N=C(CCCC(O)=O)N2)C(=O)N(C)C1=O

InChI

InChIKey=NGBYKZGOXFIONW-UHFFFAOYSA-N

InChI=1S/C11H14N4O4/c1-14-9-8(10(18)15(2)11(14)19)12-6(13-9)4-3-5-7(16)17/h3-5H2,1-2H3,(H,12,13)(H,16,17)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

THEOPHYLLINE-8-BUTYRIC ACID

Systematic Name

English

8-(3-CARBOXYPROPYL)-1,3-DIMETHYLXANTHINE

Systematic Name

English

2,3,6,9-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-1H-PURINE-8-BUTANOIC ACID

Systematic Name

English

8-(3-CARBOXYPROPYL)THEOPHYLLINE

Systematic Name

English

1H-PURINE-8-BUTANOIC ACID, 2,3,6,7-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-

Common Name

English

NSC-14374

Code

English

1H-PURINE-8-BUTANOIC ACID, 2,3,6,9-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

95036

Created by admin on Sat Dec 16 12:55:15 GMT 2023 , Edited by admin on Sat Dec 16 12:55:15 GMT 2023

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CAS

5438-71-1

Created by admin on Sat Dec 16 12:55:15 GMT 2023 , Edited by admin on Sat Dec 16 12:55:15 GMT 2023

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FDA UNII

1UR2VV86WO

Created by admin on Sat Dec 16 12:55:15 GMT 2023 , Edited by admin on Sat Dec 16 12:55:15 GMT 2023

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NSC

14374

Created by admin on Sat Dec 16 12:55:15 GMT 2023 , Edited by admin on Sat Dec 16 12:55:15 GMT 2023

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EPA CompTox

DTXSID90202753

Created by admin on Sat Dec 16 12:55:15 GMT 2023 , Edited by admin on Sat Dec 16 12:55:15 GMT 2023

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SUBSTANCE RECORD


					1UR2VV86WO

THEOPHYLLINE-8-BUTYRIC ACID