THEOPHYLLIDINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H10N4O
Molecular Weight	154.1698
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of THEOPHYLLIDINE

Structure Search

SMILES

CNC(=O)C1=C(NC)NC=N1

InChI

InChIKey=HBYDWASAZICSRC-UHFFFAOYSA-N

InChI=1S/C6H10N4O/c1-7-5-4(6(11)8-2)9-3-10-5/h3,7H,1-2H3,(H,8,11)(H,9,10)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

THEOPHYLLINE IMPURITY D [EP IMPURITY]

Preferred Name

English

THEOPHYLLIDINE

Common Name

English

THEOPHYLLINE RELATED COMPOUND D [USP-RS]

Common Name

English

1H-IMIDAZOLE-4-CARBOXAMIDE, N-METHYL-5-(METHYLAMINO)-

Systematic Name

English

DIPROPHYLLINE IMPURITY A [EP IMPURITY]

Common Name

English

4-(METHYLAMINO)-5-(N-METHYLCARBAMOYL)IMIDAZOLE

Systematic Name

English

THEOPHYLLINE RELATED COMPOUND D [USP IMPURITY]

Common Name

English

N-METHYL-5-(METHYLAMINO)-1H-IMIDAZOLE-4-CARBOXAMIDE

Systematic Name

English

THEOPHYLLINE MONOHYDRATE IMPURITY D [EP IMPURITY]

Common Name

English

Code System Code Type Description

CAS

6736-40-9

Created by admin on Mon Mar 31 23:03:01 GMT 2025 , Edited by admin on Mon Mar 31 23:03:01 GMT 2025

PRIMARY

EPA CompTox

DTXSID90217706

Created by admin on Mon Mar 31 23:03:01 GMT 2025 , Edited by admin on Mon Mar 31 23:03:01 GMT 2025

PRIMARY

PUBCHEM

12443409

Created by admin on Mon Mar 31 23:03:01 GMT 2025 , Edited by admin on Mon Mar 31 23:03:01 GMT 2025

PRIMARY

FDA UNII

76560HOO1I

Created by admin on Mon Mar 31 23:03:01 GMT 2025 , Edited by admin on Mon Mar 31 23:03:01 GMT 2025

PRIMARY

RS_ITEM_NUM

1653048

Created by admin on Mon Mar 31 23:03:01 GMT 2025 , Edited by admin on Mon Mar 31 23:03:01 GMT 2025

PRIMARY

SUBSTANCE RECORD


					76560HOO1I