8-ALLYLOXYCAFFEINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

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 `Fri Dec 15 17:16:52 GMT 2023` Edited by `admin` on `Fri Dec 15 17:16:52 GMT 2023`
Record UNII	5LL9N7JP3P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

8-ALLYLOXYCAFFEINE

Systematic Name

English

NSC-8814

Code

English

ALLYLOXYCAFFEINE, 8-

Systematic Name

English

Code System Code Type Description

FDA UNII

5LL9N7JP3P

Created by admin on Fri Dec 15 17:16:52 GMT 2023 , Edited by admin on Fri Dec 15 17:16:52 GMT 2023

PRIMARY

PUBCHEM

64125

Created by admin on Fri Dec 15 17:16:52 GMT 2023 , Edited by admin on Fri Dec 15 17:16:52 GMT 2023

PRIMARY

NSC

8814

Created by admin on Fri Dec 15 17:16:52 GMT 2023 , Edited by admin on Fri Dec 15 17:16:52 GMT 2023

PRIMARY

CAS

6287-60-1

Created by admin on Fri Dec 15 17:16:52 GMT 2023 , Edited by admin on Fri Dec 15 17:16:52 GMT 2023

PRIMARY

EPA CompTox

DTXSID30212038

Created by admin on Fri Dec 15 17:16:52 GMT 2023 , Edited by admin on Fri Dec 15 17:16:52 GMT 2023

PRIMARY