Spectrum CCMSLIB00000078505 for Ritodrine hydrochloride (Yutopar)

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
23239-51-2
C17H22ClNO3
323.128821244
Cl.OC1=CC=C(C=C1)CCNC(C)C(O)C2=CC=C(O)C=C2
InChI=1S/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17-;/m1./s1
IDLSITKDRVDKRV-JSUROZADSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
287.152
1
Plate8_21_40_GC10_01_15763.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
2.9690042677440247
0.6316384787714147
288.159
[M+H]+
124853.95647541809 ppm
-35.977791244 Da