Feedback

arbutamine

Properties

Image

Occurences in reactions

MNX_ID

MNXM42518

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₈H₂₃NO₄

charge

mass

317.16271

reference

InChIKey

IIRWWTKISYTTBL-SFHVURJKSA-N

InChI

InChI=1S/C18H23NO4/c20-15-7-4-13(5-8-15)3-1-2-10-19-12-18(23)14-6-9-16(21)17(22)11-14/h4-9,11,18-23H,1-3,10,12H2/t18-/m0/s1

SMILES

Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50580 chebi:50580	arbutamine 4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol arbutamina arbutaminum
hmdb:HMDB0015234	Arbutamine 4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol Arbutamina Arbutamine hydrochloride Arbutamine hydrochloride, (R)-isomer Arbutaminum GenESA arbutamine
hmdb:HMDB15234	secondary/obsolete/fantasy identifier