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Preferred Name

(S)-atropine
Synonyms

(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate

tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate

(-)-hyoscyamine

l-hyoscyamine

L-Hyoscyamine

tropine, (-)-tropate

L-Tropine tropate

Daturine

Duboisine

[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester

(-)-atropine

hyoscyamine

(S)-(-)-hyoscyamine
Definitions

An atropine with a 2S-configuration.
ID

http://purl.obolibrary.org/obo/CHEBI_17486
charge

0
database_cross_reference

KEGG:C02046

Reaxys:91259

PDBeChem:OIN

Drug_Central:1402

KNApSAcK:C00002293

DrugBank:DB00424

KEGG:D00147

CAS:101-31-5

Beilstein:91259
definition

An atropine with a 2S-configuration.
formula

C17H23NO3
has exact synonym

(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate

tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate
has functional parent

http://purl.obolibrary.org/obo/CHEBI_30766
has_alternative_id

CHEBI:21331

CHEBI:44734

CHEBI:6247

CHEBI:13124
has_obo_namespace

chebi_ontology
has_related_synonym

(-)-hyoscyamine

l-hyoscyamine

L-Hyoscyamine

tropine, (-)-tropate

L-Tropine tropate

Daturine

Duboisine

[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester

(-)-atropine

hyoscyamine

(S)-(-)-hyoscyamine
id

CHEBI:17486
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
inchi

InChI=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/t13-,14+,15+,16-/m1/s1
inchikey

RKUNBYITZUJHSG-FXUDXRNXSA-N
is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_58164
label

(S)-atropine
mass

289.36946
monoisotopicmass

289.16779
notation

CHEBI:17486
prefLabel

(S)-atropine
smiles

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1
subClassOf

http://purl.obolibrary.org/obo/CHEBI_78734
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