7-MORPHOLINOMETHYLTHEOPHYLLINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H17N5O3
Molecular Weight	279.2951
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-MORPHOLINOMETHYLTHEOPHYLLINE

Structure Search

SMILES

CN1C2=C(N(CN3CCOCC3)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=HGLLQAPXHCAZBP-UHFFFAOYSA-N

InChI=1S/C12H17N5O3/c1-14-10-9(11(18)15(2)12(14)19)17(7-13-10)8-16-3-5-20-6-4-16/h7H,3-6,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H17N5O3
Molecular Weight	279.2951
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 `Mon Mar 31 22:43:43 GMT 2025` Edited by `admin` on `Mon Mar 31 22:43:43 GMT 2025`
Record UNII	S1F9HMA2TP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-MORPHOLINOMETHYLTHEOPHYLLINE

Systematic Name

English

XANTURIL

Preferred Name

English

NSC-130842

Code

English

7-MORPHOLINOMETHYLTHEOPHYLLINE [MI]

Common Name

English

1,3-DIMETHYL-7-MORPHOLINOMETHYLXANTHINE

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60198912

Created by admin on Mon Mar 31 22:43:43 GMT 2025 , Edited by admin on Mon Mar 31 22:43:43 GMT 2025

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MERCK INDEX

m356

Created by admin on Mon Mar 31 22:43:43 GMT 2025 , Edited by admin on Mon Mar 31 22:43:43 GMT 2025

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Merck Index

ECHA (EC/EINECS)

225-808-2

Created by admin on Mon Mar 31 22:43:43 GMT 2025 , Edited by admin on Mon Mar 31 22:43:43 GMT 2025

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NSC

130842

Created by admin on Mon Mar 31 22:43:43 GMT 2025 , Edited by admin on Mon Mar 31 22:43:43 GMT 2025

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CAS

5089-89-4

Created by admin on Mon Mar 31 22:43:43 GMT 2025 , Edited by admin on Mon Mar 31 22:43:43 GMT 2025

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PUBCHEM

78773

Created by admin on Mon Mar 31 22:43:43 GMT 2025 , Edited by admin on Mon Mar 31 22:43:43 GMT 2025

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FDA UNII

S1F9HMA2TP

Created by admin on Mon Mar 31 22:43:43 GMT 2025 , Edited by admin on Mon Mar 31 22:43:43 GMT 2025

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