1-ETHYLTHEOBROMINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H12N4O2
Molecular Weight	208.2172
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-ETHYLTHEOBROMINE

Structure Search

SMILES

CCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O

InChI

InChIKey=KRVVZPXPQUPXJE-UHFFFAOYSA-N

InChI=1S/C9H12N4O2/c1-4-13-8(14)6-7(10-5-11(6)2)12(3)9(13)15/h5H,4H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NSC-515486

Preferred Name

English

1-ETHYLTHEOBROMINE

Systematic Name

English

1-ETHYL-3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE

Systematic Name

English

1H-PURINE-2,6-DIONE, 1-ETHYL-3,7-DIHYDRO-3,7-DIMETHYL-

Systematic Name

English

1-ETHYL-3,7-DIMETHYL-XANTHINE

Systematic Name

English

THEOBROMINE, 1-ETHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

9T24XXI18T

Created by admin on Mon Mar 31 20:05:11 GMT 2025 , Edited by admin on Mon Mar 31 20:05:11 GMT 2025

PRIMARY

EPA CompTox

DTXSID40192897

Created by admin on Mon Mar 31 20:05:11 GMT 2025 , Edited by admin on Mon Mar 31 20:05:11 GMT 2025

PRIMARY

PUBCHEM

93219

Created by admin on Mon Mar 31 20:05:11 GMT 2025 , Edited by admin on Mon Mar 31 20:05:11 GMT 2025

PRIMARY

CAS

39832-36-5

Created by admin on Mon Mar 31 20:05:11 GMT 2025 , Edited by admin on Mon Mar 31 20:05:11 GMT 2025

PRIMARY

NSC

515486

Created by admin on Mon Mar 31 20:05:11 GMT 2025 , Edited by admin on Mon Mar 31 20:05:11 GMT 2025

PRIMARY

SUBSTANCE RECORD


					9T24XXI18T

1-ETHYLTHEOBROMINE