Acefylline prenylamine

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 Search

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

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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