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Details

Stereochemistry ACHIRAL
Molecular Formula C7H12N4O
Molecular Weight 168.1964
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAFFEIDINE

SMILES

CNC(=O)C1=C(NC)N=CN1C

InChI

InChIKey=FNYXJOYPHLKLRW-UHFFFAOYSA-N
InChI=1S/C7H12N4O/c1-8-6-5(7(12)9-2)11(3)4-10-6/h4,8H,1-3H3,(H,9,12)

HIDE SMILES / InChI

Molecular Formula C7H12N4O
Molecular Weight 168.1964
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 Thu Jul 06 19:46:39 UTC 2023
Edited
by admin
on Thu Jul 06 19:46:39 UTC 2023
Record UNII
VT2A7LG4EQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAFFEIDINE
Common Name English
IMIDAZOLE-5-CARBOXAMIDE, N,1-DIMETHYL-4-(METHYLAMINO)-
Systematic Name English
CAFFEINE MONOHYDRATE IMPURITY E [EP IMPURITY]
Common Name English
N,1-DIMETHYL-4-(METHYLAMINO)-1H-IMIDAZOLE-5-CARBOXAMIDE
Systematic Name English
1H-IMIDAZOLE-5-CARBOXAMIDE, N,1-DIMETHYL-4-(METHYLAMINO)-
Systematic Name English
CAFFEINE IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80173862
Created by admin on Thu Jul 06 19:46:40 UTC 2023 , Edited by admin on Thu Jul 06 19:46:40 UTC 2023
PRIMARY
PUBCHEM
159880
Created by admin on Thu Jul 06 19:46:40 UTC 2023 , Edited by admin on Thu Jul 06 19:46:40 UTC 2023
PRIMARY
CAS
20041-90-1
Created by admin on Thu Jul 06 19:46:40 UTC 2023 , Edited by admin on Thu Jul 06 19:46:40 UTC 2023
PRIMARY
FDA UNII
VT2A7LG4EQ
Created by admin on Thu Jul 06 19:46:40 UTC 2023 , Edited by admin on Thu Jul 06 19:46:40 UTC 2023
PRIMARY
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