1,3-DIBUTYLXANTHINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H20N4O2
Molecular Weight	264.3235
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3-DIBUTYLXANTHINE

Structure Search

SMILES

CCCCN1C2=C(NC=N2)C(=O)N(CCCC)C1=O

InChI

InChIKey=HDAPVDGMACVEKL-UHFFFAOYSA-N

InChI=1S/C13H20N4O2/c1-3-5-7-16-11-10(14-9-15-11)12(18)17(13(16)19)8-6-4-2/h9H,3-8H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula	C13H20N4O2
Molecular Weight	264.3235
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
Synthesis and purine receptor affinity of 6-oxopurine nucleosides and nucleotides containing (N)-methanocarba-pseudoribose rings.	2001-09-03	11527718

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:53:38 GMT 2025` Edited by `admin` on `Mon Mar 31 18:53:38 GMT 2025`
Record UNII	IR9D2UGY27
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-515484

Preferred Name

English

1,3-DIBUTYLXANTHINE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70182721

Created by admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025

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PUBCHEM

101421

Created by admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025

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NSC

515484

Created by admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025

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FDA UNII

IR9D2UGY27

Created by admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025

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CAS

2850-36-4

Created by admin on Mon Mar 31 18:53:38 GMT 2025 , Edited by admin on Mon Mar 31 18:53:38 GMT 2025

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