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Details

Stereochemistry RACEMIC
Molecular Formula C10H14N4O4
Molecular Weight 254.2426
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROXYPROPYLTHEOBROMINE

SMILES

CN1C=NC2=C1C(=O)N(CC(O)CO)C(=O)N2C

InChI

InChIKey=RRBSZTYIWIHPST-UHFFFAOYSA-N
InChI=1S/C10H14N4O4/c1-12-5-11-8-7(12)9(17)14(3-6(16)4-15)10(18)13(8)2/h5-6,15-16H,3-4H2,1-2H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
DIHYDROXYPROPYLTHEOBROMINE
Systematic Name English
THEOBROMINE, 1-(2,3-DIHYDROXYPROPYL)-
Systematic Name English
1-(2,3-DIHYDROXYPROPYL)THEOBROMINE
Systematic Name English
ISOBROMIN
Common Name English
THEOCARDINE
Common Name English
1H-PURINE-2,6-DIONE, 1-(2,3-DIHYDROXYPROPYL)-3,7-DIHYDRO-3,7-DIMETHYL-
Systematic Name English
THEOCARDIN
Common Name English
NSC-515487
Code English
Code System Code Type Description
EPA CompTox
DTXSID001043055
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
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NSC
515487
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
PRIMARY
FDA UNII
SU17H31P26
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
236-660-3
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
PRIMARY
PUBCHEM
101172
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
PRIMARY
CAS
13460-96-3
Created by admin on Sat Dec 16 08:37:50 GMT 2023 , Edited by admin on Sat Dec 16 08:37:50 GMT 2023
PRIMARY