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L-hyoscyamine

PropertiesImage
MNX_IDMNXM2759 Image of MNXM2759
referencechebi:58164
formulaC17H24NO3
global charge1
mol weight290.383
InChIKeyRKUNBYITZUJHSG-FXUDXRNXSA-O
InChIInChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16-/m1/s1
SMILESC[NH+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)C1=CC=CC=C1)C2
MNX internals
InChI (mnx)InChI=1/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1 Image of MNXM2759
SMILES (mnx)[CH3:1][N:18]1[C@@H:13]2[CH2:7][CH2:8][C@H:14]1[CH2:10][C@@H:15]([O:21][C:17]([C@H:16]([CH2:11][OH:19])[C:12]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)=[O:20])[CH2:9]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58164
chebi:58164
RKUNBYITZUJHSG-FXUDXRNXSA-O 		L-hyoscyamine
(3-endo)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate
(S)-atropinium
(S)-atropinium cation
(S)-atropinium(1+)

CHEBI:17486
chebi:17486
RKUNBYITZUJHSG-FXUDXRNXSA-N 		(S)-atropine
(-)-atropine
(-)-hyoscyamine
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate
(S)-(-)-hyoscyamine
Daturine
Duboisine
L-Hyoscyamine
L-Tropine tropate
[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
hyoscyamine
l-hyoscyamine
tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate
tropine, (-)-tropate

metacyc.compound:L-HYOSCYAMINE
metacycM:L-HYOSCYAMINE
RKUNBYITZUJHSG-FXUDXRNXSA-O 		(S)-atropine
(S)-atropinium
L-hyoscyamine
L-tropine tropate
daturine
duboisine

seed.compound:cpd01396
seedM:cpd01396
RKUNBYITZUJHSG-FXUDXRNXSA-O 		Daturine
(S)-atropinium
Duboisine
L-Hyoscyamine
L-Tropine tropate
L-hyoscyamine
L-tropine tropate
daturine
duboisine

kegg.drug:D00147
keggD:D00147
RKUNBYITZUJHSG-FXUDXRNXSA-N 		Hyoscyamine (USP)
hmdb:HMDB0014568
RKUNBYITZUJHSG-FXUDXRNXSA-N 		Hyoscyamine
(-)-Atropine
(-)-Hyoscyamine
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
(Leo)-atropine
(Leo)-hyoscyamine
(S)-(-)-Hyoscyamine
(S)-(Leo)-hyoscyamine
(S)Atropine
Daturine
Duboisine
Hyocyamine
L-Atropine
L-Hyopscyamine
L-Hyoscamine
L-Hyoscyamine
L-Tropine tropate
L-Tropine tropic acid
L-hyoscyamine
Tropine, (-)-tropate
Tropine, (-)-tropic acid
[3(S)-endo]-a-(Hydroxymethyl)benzeneacetate 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
[3(S)-endo]-a-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
[3(S)-endo]-alpha-(Hydroxymethyl)benzeneacetate 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
[3(S)-endo]-alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetate 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester

sabiork.compound:5962
sabiorkM:5962
kegg.compound:C02046
keggC:C02046
RKUNBYITZUJHSG-FXUDXRNXSA-N 		L-Hyoscyamine
Daturine
Duboisine
L-Tropine tropate

hmdb:HMDB14568
chebi:13124
chebi:21331
chebi:44734
chebi:6247
keggC:M_C02046
keggD:M_D00147
seedM:M_cpd01396 		secondary/obsolete/fantasy identifier