8-PROPYLOXYCAFFEINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H16N4O3
Molecular Weight	252.2697
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-PROPYLOXYCAFFEINE

Structure Search

SMILES

CCCOC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=GWQATCITTRTTPB-UHFFFAOYSA-N

InChI=1S/C11H16N4O3/c1-5-6-18-10-12-8-7(13(10)2)9(16)15(4)11(17)14(8)3/h5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C11H16N4O3
Molecular Weight	252.2697
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 19:10:08 GMT 2023` Edited by `admin` on `Fri Dec 15 19:10:08 GMT 2023`
Record UNII	P5V084Y5X1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

8-PROPYLOXYCAFFEINE

Systematic Name

English

PROPYLOXYCAFFEINE, 8-

Systematic Name

English

NSC-8816

Code

English

Code System Code Type Description

PUBCHEM

64116

Created by admin on Fri Dec 15 19:10:09 GMT 2023 , Edited by admin on Fri Dec 15 19:10:09 GMT 2023

PRIMARY

FDA UNII

P5V084Y5X1

Created by admin on Fri Dec 15 19:10:09 GMT 2023 , Edited by admin on Fri Dec 15 19:10:09 GMT 2023

PRIMARY

EPA CompTox

DTXSID70171190

Created by admin on Fri Dec 15 19:10:09 GMT 2023 , Edited by admin on Fri Dec 15 19:10:09 GMT 2023

PRIMARY

NSC

8816

Created by admin on Fri Dec 15 19:10:09 GMT 2023 , Edited by admin on Fri Dec 15 19:10:09 GMT 2023

PRIMARY

CAS

1818-66-2

Created by admin on Fri Dec 15 19:10:09 GMT 2023 , Edited by admin on Fri Dec 15 19:10:09 GMT 2023

PRIMARY