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ambroxol

PropertiesImage
MNX_IDMNXM102660 Image of MNXM102660
referencechebi:135590
formulaC13H18Br2N2O
global charge0
mol weight378.108
InChIKeyJBDGDEWWOUBZPM-XYPYZODXSA-N
InChIInChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-
SMILESNC1=C(CN[C@H]2CC[C@H](O)CC2)C=C(Br)C=C1Br
MNX internals
InChI (mnx)InChI=1/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11- Image of MNXM102660
SMILES (mnx)[CH2:1]1[CH2:3][C@H:11]([OH:18])[CH2:4][CH2:2][C@H:10]1[NH:17][CH2:7][C:8]1=[CH:5][C:9]([Br:14])=[CH:6][C:12]([Br:15])=[C:13]1[NH2:16]
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:135590
chebi:135590
JBDGDEWWOUBZPM-XYPYZODXSA-N 		ambroxol
ambroxils
ambroxol HCl
ambroxol hydrochloride
lasolvan

CHEBI:92994
chebi:92994
JBDGDEWWOUBZPM-UHFFFAOYSA-N 		4-[(2-amino-3,5-dibromophenyl)methylamino]-1-cyclohexanol

kegg.drug:D07442
keggD:D07442
JBDGDEWWOUBZPM-CACVWKRDSA-N 		Ambroxol (INN)
Tabcin (TN)

keggD:M_D07442 		secondary/obsolete/fantasy identifier