8-(P-AMINOBENZYL)-CAFFEINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H17N5O2
Molecular Weight	299.3278
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(P-AMINOBENZYL)-CAFFEINE

Structure Search

SMILES

CN1C(CC2=CC=C(N)C=C2)=NC3=C1C(=O)N(C)C(=O)N3C

InChI

InChIKey=OSKJFYYILYDPAQ-UHFFFAOYSA-N

InChI=1S/C15H17N5O2/c1-18-11(8-9-4-6-10(16)7-5-9)17-13-12(18)14(21)20(3)15(22)19(13)2/h4-7H,8,16H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

8-(P-AMINOBENZYL)-CAFFEINE

Systematic Name

English

NSC-14398

Preferred Name

English

CAFFEINE, 8-(P-AMINOBENZYL)-

Common Name

English

8-((4-AMINOPHENYL)METHYL)-3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-((4-AMINOPHENYL)METHYL)-3,7-DIHYDRO-1,3,7-TRIMETHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

21552

Created by admin on Tue Apr 01 19:37:47 GMT 2025 , Edited by admin on Tue Apr 01 19:37:47 GMT 2025

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NSC

14398

Created by admin on Tue Apr 01 19:37:47 GMT 2025 , Edited by admin on Tue Apr 01 19:37:47 GMT 2025

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FDA UNII

TRI71JU8B6

Created by admin on Tue Apr 01 19:37:47 GMT 2025 , Edited by admin on Tue Apr 01 19:37:47 GMT 2025

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EPA CompTox

DTXSID10202619

Created by admin on Tue Apr 01 19:37:47 GMT 2025 , Edited by admin on Tue Apr 01 19:37:47 GMT 2025

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CAS

5426-89-1

Created by admin on Tue Apr 01 19:37:47 GMT 2025 , Edited by admin on Tue Apr 01 19:37:47 GMT 2025

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SUBSTANCE RECORD


					TRI71JU8B6

8-(P-AMINOBENZYL)-CAFFEINE