1-((5E)-11-(3,7-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL)-5-METHYL-7-OXOUNDEC-5-ENYL)-3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H34N8O5
Molecular Weight	538.5988
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-((5E)-11-(3,7-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL)-5-METHYL-7-OXOUNDEC-5-ENYL)-3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

Structure Search

SMILES

CN1C=NC2=C1C(=O)N(CCCCC(=O)\C=C(/C)CCCCN3C(=O)N(C)C4=C(N(C)C=N4)C3=O)C(=O)N2C

InChI

InChIKey=JZAQVESYNLRDBT-SAPNQHFASA-N

InChI=1S/C26H34N8O5/c1-17(10-6-8-12-33-23(36)19-21(27-15-29(19)2)31(4)25(33)38)14-18(35)11-7-9-13-34-24(37)20-22(28-16-30(20)3)32(5)26(34)39/h14-16H,6-13H2,1-5H3/b17-14+

HIDE SMILES / InChI

Molecular Formula	C26H34N8O5
Molecular Weight	538.5988
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:28:42 GMT 2025` Edited by `admin` on `Wed Apr 02 05:28:42 GMT 2025`
Record UNII	B069A9P6JN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTOXIFYLLINE IMPURITY J [EP IMPURITY]

Preferred Name

English

1-((5E)-11-(3,7-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-1-YL)-5-METHYL-7-OXOUNDEC-5-ENYL)-3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-1-((5E)-5-METHYL-7-OXO-11-(2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-1H-PURIN-1-YL)-5-UNDECEN-1-YL)-

Systematic Name

English

3,7-DIHYDRO-3,7-DIMETHYL-1-((5E)-5-METHYL-7-OXO-11-(2,3,6,7-TETRAHYDRO-3,7-DIMETHYL-2,6-DIOXO-1H-PURIN-1-YL)-5-UNDECEN-1-YL)-1H-PURINE-2,6-DIONE

Systematic Name

English

Code System Code Type Description

CAS

874747-30-5

Created by admin on Wed Apr 02 05:28:42 GMT 2025 , Edited by admin on Wed Apr 02 05:28:42 GMT 2025

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FDA UNII

B069A9P6JN

Created by admin on Wed Apr 02 05:28:42 GMT 2025 , Edited by admin on Wed Apr 02 05:28:42 GMT 2025

PRIMARY

PUBCHEM

71750148

Created by admin on Wed Apr 02 05:28:42 GMT 2025 , Edited by admin on Wed Apr 02 05:28:42 GMT 2025

PRIMARY

EPA CompTox

DTXSID20858005

Created by admin on Wed Apr 02 05:28:42 GMT 2025 , Edited by admin on Wed Apr 02 05:28:42 GMT 2025

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Related Record Type Details


					SD6QCT3TSU

PENTOXIFYLLINE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: