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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

Approval Year

PubMed

PubMed

TitleDatePubMed
Selective cytotoxicity of pancratistatin-related natural Amaryllidaceae alkaloids: evaluation of the activity of two new compounds.
2007 Jun 5
Name Type Language
8-CHLOROCAFFEINE
Systematic Name English
1H-PURINE-2,6-DIONE, 8-CHLORO-3,7-DIHYDRO-1,3,7-TRIMETHYL-
Systematic Name English
DIMENHYDRINATE IMPURITY E
EP  
Common 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 Sat Dec 16 05:39:29 GMT 2023 , Edited by admin on Sat Dec 16 05:39:29 GMT 2023
PRIMARY
PUBCHEM
21031
Created by admin on Sat Dec 16 05:39:29 GMT 2023 , Edited by admin on Sat Dec 16 05:39:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
225-552-1
Created by admin on Sat Dec 16 05:39:29 GMT 2023 , Edited by admin on Sat Dec 16 05:39:29 GMT 2023
PRIMARY
CAS
4921-49-7
Created by admin on Sat Dec 16 05:39:29 GMT 2023 , Edited by admin on Sat Dec 16 05:39:29 GMT 2023
PRIMARY
RS_ITEM_NUM
1206017
Created by admin on Sat Dec 16 05:39:29 GMT 2023 , Edited by admin on Sat Dec 16 05:39:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID00197722
Created by admin on Sat Dec 16 05:39:29 GMT 2023 , Edited by admin on Sat Dec 16 05:39:29 GMT 2023
PRIMARY
NSC
6277
Created by admin on Sat Dec 16 05:39:29 GMT 2023 , Edited by admin on Sat Dec 16 05:39:29 GMT 2023
PRIMARY