loading...| Preferred Name |
Hyoscyamine |
|
| Synonyms |
[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester L-Hyoscyamine hyoscyamine l-hyoscyamine L-Tropine tropate (-)-hyoscyamine (-)-atropine (S)-(-)-hyoscyamine tropine, (-)-tropate Daturine Duboisine (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 |
|
| Definitions |
An atropine with a 2S-configuration. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_17486 |
|
| alternative term |
[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester L-Hyoscyamine hyoscyamine l-hyoscyamine L-Tropine tropate (-)-hyoscyamine (-)-atropine (S)-(-)-hyoscyamine tropine, (-)-tropate Daturine Duboisine (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 |
|
| charge |
0 |
|
| database_cross_reference |
PDBeChem:OIN KEGG:D00147 KNApSAcK:C00002293 Reaxys:91259 KEGG:C02046 Drug_Central:1402 Beilstein:91259 CAS:101-31-5 DrugBank:DB00424 |
|
| formula |
C17H23NO3 |
|
| has functional parent | ||
| has_alternative_id |
CHEBI:21331 CHEBI:13124 CHEBI:44734 CHEBI:6247 |
|
| 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_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester L-Hyoscyamine hyoscyamine l-hyoscyamine L-Tropine tropate (-)-hyoscyamine (-)-atropine (S)-(-)-hyoscyamine tropine, (-)-tropate Daturine Duboisine |
|
| has_RxCUI |
153970 |
|
| id |
CHEBI:17486 |
|
| in_subset | ||
| 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 | ||
| label |
(S)-atropine Hyoscyamine |
|
| mass |
289.36946 |
|
| monoisotopicmass |
289.16779 |
|
| notation |
CHEBI:17486 |
|
| prefixIRI |
CHEBI:17486 |
|
| prefLabel |
Hyoscyamine |
|
| smiles |
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1 |
|
| textual definition |
An atropine with a 2S-configuration. |
|
| subClassOf |