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Details

Stereochemistry RACEMIC
Molecular Formula C24H27N.C9H10N4O4
Molecular Weight 567.678
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Acefylline prenylamine

SMILES

CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O.CC(CC3=CC=CC=C3)NCCC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=DYCAMVNSMCVQIV-UHFFFAOYSA-N
InChI=1S/C24H27N.C9H10N4O4/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h2-16,20,24-25H,17-19H2,1H3;4H,3H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C24H27N
Molecular Weight 329.4779
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C9H10N4O4
Molecular Weight 238.2001
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 Wed Apr 02 14:33:30 GMT 2025
Edited
by admin
on Wed Apr 02 14:33:30 GMT 2025
Record UNII
U4MJW44QWT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Prenylamine acefyllinate [WHO-DD]
Preferred Name English
Acefylline prenylamine
Common Name English
7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with N-(1-methyl-2-phenylethyl)-?-phenylbenzenepropanamine (1:1)
Systematic Name English
Benzenepropanamine, N-(1-methyl-2-phenylethyl)-?-phenyl-, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50916526
Created by admin on Wed Apr 02 14:33:30 GMT 2025 , Edited by admin on Wed Apr 02 14:33:30 GMT 2025
PRIMARY
CAS
94088-42-3
Created by admin on Wed Apr 02 14:33:30 GMT 2025 , Edited by admin on Wed Apr 02 14:33:30 GMT 2025
PRIMARY
SMS_ID
100000078871
Created by admin on Wed Apr 02 14:33:30 GMT 2025 , Edited by admin on Wed Apr 02 14:33:30 GMT 2025
PRIMARY
FDA UNII
U4MJW44QWT
Created by admin on Wed Apr 02 14:33:30 GMT 2025 , Edited by admin on Wed Apr 02 14:33:30 GMT 2025
PRIMARY
PUBCHEM
56841404
Created by admin on Wed Apr 02 14:33:30 GMT 2025 , Edited by admin on Wed Apr 02 14:33:30 GMT 2025
PRIMARY
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