1-(4,5-DIHYDROXYHEXYL)-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C13H20N4O4
Molecular Weight	296.3223
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(4,5-DIHYDROXYHEXYL)-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE

Structure Search

SMILES

CC(O)C(O)CCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O

InChI

InChIKey=ZJBOLBRXIQZJSF-UHFFFAOYSA-N

InChI=1S/C13H20N4O4/c1-8(18)9(19)5-4-6-17-12(20)10-11(14-7-15(10)2)16(3)13(17)21/h7-9,18-19H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H20N4O4
Molecular Weight	296.3223
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:18:34 GMT 2025` Edited by `admin` on `Wed Apr 02 08:18:34 GMT 2025`
Record UNII	8742KHC2CC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(4,5-DIHYDROXYHEXYL)THEOBROMINE

Preferred Name

English

1-(4,5-DIHYDROXYHEXYL)-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE

Systematic Name

English

1H-PURINE-2,6-DIONE, 1-(4,5-DIHYDROXYHEXYL)-3,7-DIHYDRO-3,7-DIMETHYL-

Systematic Name

English

C 21250

Common Name

English

1-(4,5-DIHYDROXYHEXYL)-3,7-DIMETHYLXANTHINE

Systematic Name

English

PENTOXIFYLLINE METABOLITE M-3

Common Name

English

Code System Code Type Description

CAS

6493-08-9

Created by admin on Wed Apr 02 08:18:34 GMT 2025 , Edited by admin on Wed Apr 02 08:18:34 GMT 2025

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PUBCHEM

18466971

Created by admin on Wed Apr 02 08:18:34 GMT 2025 , Edited by admin on Wed Apr 02 08:18:34 GMT 2025

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FDA UNII

8742KHC2CC

Created by admin on Wed Apr 02 08:18:34 GMT 2025 , Edited by admin on Wed Apr 02 08:18:34 GMT 2025

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PENTOXIFYLLINE

PARENT -> METABOLITE