U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N2O3.C8H10N4O2
Molecular Weight 440.4525
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAFFEINE N-ACETYL-L-TRYPTOPHAN

SMILES

CN1C=NC2=C1C(=O)N(C)C(=O)N2C.CC(=O)N[C@@H](CC3=CNC4=C3C=CC=C4)C(O)=O

InChI

InChIKey=HTWRTVLBVOTBKA-YDALLXLXSA-N
InChI=1S/C13H14N2O3.C8H10N4O2/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);4H,1-3H3/t12-;/m0./s1

HIDE SMILES / InChI

Description
Sources: FR M1759

Caffeine N-Acetyl-L-Tryptophan is Caffeine salt which can be used as a stimulant for the nervous system and as a vasodilator.

Approval Year

Patents

Patents

Name Type Language
CAFFEINE N-ACETYL-L-TRYPTOPHAN
Systematic Name English
1,3,7-TRIMETHYLXANTHINE ACETYLTRYPTOPHANATE
Common Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-, COMPD. WITH N-ACETYL-L-TRYPTOPHAN (1:1)
Systematic Name English
ADRIFANE
Brand Name English
A 50
Code English
L-TRYPTOPHAN, N-ACETYL-, COMPD. WITH 3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
20055291
Created by admin on Sat Dec 16 08:37:20 GMT 2023 , Edited by admin on Sat Dec 16 08:37:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID20722333
Created by admin on Sat Dec 16 08:37:20 GMT 2023 , Edited by admin on Sat Dec 16 08:37:20 GMT 2023
PRIMARY
CAS
60364-24-1
Created by admin on Sat Dec 16 08:37:20 GMT 2023 , Edited by admin on Sat Dec 16 08:37:20 GMT 2023
PRIMARY
FDA UNII
6MZ5U00NZC
Created by admin on Sat Dec 16 08:37:20 GMT 2023 , Edited by admin on Sat Dec 16 08:37:20 GMT 2023
PRIMARY