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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

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
Molecular Formula C6H10N4O
Molecular Weight 154.1698
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 23:03:01 GMT 2025
Edited
by admin
on Mon Mar 31 23:03:01 GMT 2025
Record UNII
76560HOO1I
Record Status Validated (UNII)
Record Version
  • Download
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
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NIH
NCATS
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