U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9ClN4O2
Molecular Weight 228.636
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-CHLOROCAFFEINE

SMILES

CN1C(Cl)=NC2=C1C(=O)N(C)C(=O)N2C

InChI

InChIKey=HGKPGBJNNATDRR-UHFFFAOYSA-N
InChI=1S/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3

HIDE SMILES / InChI
Molecular Formula C8H9ClN4O2
Molecular Weight 228.636
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
PubMed

PubMed

TitleDatePubMed
Selective cytotoxicity of pancratistatin-related natural Amaryllidaceae alkaloids: evaluation of the activity of two new compounds.
2007 Jun 5
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:31:21 GMT 2025
Edited
by admin
on Mon Mar 31 21:31:21 GMT 2025
Record UNII
297FVR09D5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-CHLOROCAFFEINE
Systematic Name English
DIMENHYDRINATE IMPURITY E
EP  
Preferred Name English
1H-PURINE-2,6-DIONE, 8-CHLORO-3,7-DIHYDRO-1,3,7-TRIMETHYL-
Systematic Name English
CAFFEINE, 8-CHLORO-
Systematic Name English
DIMENHYDRINATE RELATED COMPOUND E
USP-RS  
Common Name English
DIMENHYDRINATE IMPURITY E [EP IMPURITY]
Common Name English
NSC-6277
Code English
DIMENHYDRINATE RELATED COMPOUND E [USP-RS]
Common Name English
Code System Code Type Description
FDA UNII
297FVR09D5
Created by admin on Mon Mar 31 21:31:21 GMT 2025 , Edited by admin on Mon Mar 31 21:31:21 GMT 2025
PRIMARY
PUBCHEM
21031
Created by admin on Mon Mar 31 21:31:21 GMT 2025 , Edited by admin on Mon Mar 31 21:31:21 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-552-1
Created by admin on Mon Mar 31 21:31:21 GMT 2025 , Edited by admin on Mon Mar 31 21:31:21 GMT 2025
PRIMARY
CAS
4921-49-7
Created by admin on Mon Mar 31 21:31:21 GMT 2025 , Edited by admin on Mon Mar 31 21:31:21 GMT 2025
PRIMARY
RS_ITEM_NUM
1206017
Created by admin on Mon Mar 31 21:31:21 GMT 2025 , Edited by admin on Mon Mar 31 21:31:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID00197722
Created by admin on Mon Mar 31 21:31:21 GMT 2025 , Edited by admin on Mon Mar 31 21:31:21 GMT 2025
PRIMARY
NSC
6277
Created by admin on Mon Mar 31 21:31:21 GMT 2025 , Edited by admin on Mon Mar 31 21:31:21 GMT 2025
PRIMARY
Related Record Type Details
Structure of DIMENHYDRINATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966