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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N4O3
Molecular Weight 224.2166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-METHOXYCAFFEINE

SMILES

COC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=ATPSJRIIRXKPER-UHFFFAOYSA-N
InChI=1S/C9H12N4O3/c1-11-5-6(10-8(11)16-4)12(2)9(15)13(3)7(5)14/h1-4H3

HIDE SMILES / InChI

Molecular Formula C9H12N4O3
Molecular Weight 224.2166
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Selective cytotoxicity of pancratistatin-related natural Amaryllidaceae alkaloids: evaluation of the activity of two new compounds.
2007-06-05
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:36:59 GMT 2025
Edited
by admin
on Mon Mar 31 19:36:59 GMT 2025
Record UNII
3UR74I2980
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-METHOXYCAFFEINE
Systematic Name English
NSC-8808
Preferred Name English
METHOXYCAFFEINE, 8-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20205434
Created by admin on Mon Mar 31 19:36:59 GMT 2025 , Edited by admin on Mon Mar 31 19:36:59 GMT 2025
PRIMARY
PUBCHEM
11286
Created by admin on Mon Mar 31 19:36:59 GMT 2025 , Edited by admin on Mon Mar 31 19:36:59 GMT 2025
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MESH
C066637
Created by admin on Mon Mar 31 19:36:59 GMT 2025 , Edited by admin on Mon Mar 31 19:36:59 GMT 2025
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ECHA (EC/EINECS)
209-312-3
Created by admin on Mon Mar 31 19:36:59 GMT 2025 , Edited by admin on Mon Mar 31 19:36:59 GMT 2025
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CAS
569-34-6
Created by admin on Mon Mar 31 19:36:59 GMT 2025 , Edited by admin on Mon Mar 31 19:36:59 GMT 2025
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FDA UNII
3UR74I2980
Created by admin on Mon Mar 31 19:36:59 GMT 2025 , Edited by admin on Mon Mar 31 19:36:59 GMT 2025
PRIMARY
NSC
8808
Created by admin on Mon Mar 31 19:36:59 GMT 2025 , Edited by admin on Mon Mar 31 19:36:59 GMT 2025
PRIMARY