1,1'-METHYLENE BIS(THEOBROMINE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H16N8O4
Molecular Weight	372.3387
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1'-METHYLENE BIS(THEOBROMINE)

Structure Search

SMILES

CN1C=NC2=C1C(=O)N(CN3C(=O)N(C)C4=C(N(C)C=N4)C3=O)C(=O)N2C

InChI

InChIKey=JQLBZHMVLVGVBB-UHFFFAOYSA-N

InChI=1S/C15H16N8O4/c1-18-5-16-10-8(18)12(24)22(14(26)20(10)3)7-23-13(25)9-11(17-6-19(9)2)21(4)15(23)27/h5-6H,7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C15H16N8O4
Molecular Weight	372.3387
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 15:25:22 UTC 2023` Edited by `admin` on `Sat Dec 16 15:25:22 UTC 2023`
Record UNII	A3YLV2M7UG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1'-METHYLENE BIS(THEOBROMINE)

Common Name

English

1H-PURINE-2,6-DIONE, 1,1'-METHYLENEBIS(3,7-DIHYDRO-3,7-DIMETHYL-

Systematic Name

English

PENTOXIFYLLINE IMPURITY E [EP IMPURITY]

Common Name

English

1,1-METHYLENEBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID30543955

Created by admin on Sat Dec 16 15:25:22 UTC 2023 , Edited by admin on Sat Dec 16 15:25:22 UTC 2023

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PUBCHEM

13565719

Created by admin on Sat Dec 16 15:25:22 UTC 2023 , Edited by admin on Sat Dec 16 15:25:22 UTC 2023

PRIMARY

CAS

77196-87-3

Created by admin on Sat Dec 16 15:25:22 UTC 2023 , Edited by admin on Sat Dec 16 15:25:22 UTC 2023

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FDA UNII

A3YLV2M7UG

Created by admin on Sat Dec 16 15:25:22 UTC 2023 , Edited by admin on Sat Dec 16 15:25:22 UTC 2023

PRIMARY

Related Record Type Details


					SD6QCT3TSU

PENTOXIFYLLINE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: