8-ALLYLOXYCAFFEINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14N4O3
Molecular Weight	250.2539
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-ALLYLOXYCAFFEINE

Structure Search

SMILES

CN1C(OCC=C)=NC2=C1C(=O)N(C)C(=O)N2C

InChI

InChIKey=CUNHAYVBWYPKEL-UHFFFAOYSA-N

InChI=1S/C11H14N4O3/c1-5-6-18-10-12-8-7(13(10)2)9(16)15(4)11(17)14(8)3/h5H,1,6H2,2-4H3

HIDE SMILES / InChI

Molecular Formula	C11H14N4O3
Molecular Weight	250.2539
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 `Mon Mar 31 18:43:29 GMT 2025` Edited by `admin` on `Mon Mar 31 18:43:29 GMT 2025`
Record UNII	5LL9N7JP3P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-8814

Preferred Name

English

8-ALLYLOXYCAFFEINE

Systematic Name

English

ALLYLOXYCAFFEINE, 8-

Systematic Name

English

Code System Code Type Description

FDA UNII

5LL9N7JP3P

Created by admin on Mon Mar 31 18:43:29 GMT 2025 , Edited by admin on Mon Mar 31 18:43:29 GMT 2025

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PUBCHEM

64125

Created by admin on Mon Mar 31 18:43:29 GMT 2025 , Edited by admin on Mon Mar 31 18:43:29 GMT 2025

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NSC

8814

Created by admin on Mon Mar 31 18:43:29 GMT 2025 , Edited by admin on Mon Mar 31 18:43:29 GMT 2025

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CAS

6287-60-1

Created by admin on Mon Mar 31 18:43:29 GMT 2025 , Edited by admin on Mon Mar 31 18:43:29 GMT 2025

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EPA CompTox

DTXSID30212038

Created by admin on Mon Mar 31 18:43:29 GMT 2025 , Edited by admin on Mon Mar 31 18:43:29 GMT 2025

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