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reproterol

PropertiesImage
MNX_IDMNXM108535 Image of MNXM108535
referencechebi:135612
formulaC18H23N5O5
global charge0
mol weight389.412
InChIKeyWVLAAKXASPCBGT-UHFFFAOYSA-N
InChIInChI=1S/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3
SMILESCN1C(=O)C2=C(N=CN2CCCNCC(O)C2=CC(O)=CC(O)=C2)N(C)C1=O
MNX internals
InChI (mnx)InChI=1/C18H23N5O5/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3/t14? Image of MNXM108535
SMILES (mnx)[CH3:1][N:21]1[C:16]2=[C:15]([C:17](=[O:27])[N:22]([CH3:2])[C:18]1=[O:28])[N:23]([CH2:5][CH2:3][CH2:4][NH:19][CH2:9][CH:14]([C:11]1=[CH:6][C:12]([OH:24])=[CH:8][C:13]([OH:25])=[CH:7]1)[OH:26])[CH:10]=[N:20]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:135612
chebi:135612
WVLAAKXASPCBGT-UHFFFAOYSA-N 		reproterol
epiferol
reproterol HCl
reproterol hydrochloride
reproterol monohydrochloride

kegg.drug:D08474
keggD:D08474
WVLAAKXASPCBGT-UHFFFAOYSA-N 		Reproterol (INN)
hmdb:HMDB0257155
WVLAAKXASPCBGT-UHFFFAOYSA-N 		Reproterol
7-(3-{[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Bronchospasmin
Epiferol
Reproterol monohydrochloride
Reproterol, (-)-isomer
reproterol

keggD:M_D08474 		secondary/obsolete/fantasy identifier