theodrenaline (CHEBI:135580)

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CHEBI:135580 - theodrenaline

Default Structure

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ChEBI ID	CHEBI:135580
ChEBI Name	theodrenaline
Stars
Last Modified	23 February 2017
Downloads	Molfile

Formula	C17H21N5O5
Net Charge	0
Average Mass	375.385
Monoisotopic Mass	375.15427
SMILES	Cn1c(=O)c2c(ncn2CCNCC(O)c2ccc(O)c(O)c2)n(C)c1=O
InChI	InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3
InChIKey	WMCMJIGLYZDKRN-UHFFFAOYSA-N

Roles Classification

cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.

ChEBI Ontology

Outgoing Relation(s)
	theodrenaline (CHEBI:135580) has role cardiovascular drug (CHEBI:35554)
	theodrenaline (CHEBI:135580) is a oxopurine (CHEBI:25810)

INN	Source
teodrenalina	WHO MedNet

Synonyms	Source
Noradrenaline theophylline	ChEMBL
(+/-)-Theodrenaline	DrugCentral
Theodrenaline	ChEMBL

Manual Xrefs	Databases
2619	DrugCentral

Registry Numbers	Sources
CAS:13460-98-5	DrugCentral