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(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate

Compound number:
MolPort-002-526-676
CAS number: 101-31-5
IUPAC:
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
IUPAC traditional:
L-hyoscyamine
SMILES:
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1 |r,THB:0:1:7.8.6:3.4|
InChI key:
RKUNBYITZUJHSG-FXUDXRNXSA-N
Molecular formula: C17H23NO3
Molecular weight: 289.375

This compound is a controlled substance and therefore can not be bought through MolPort!

More Information

Compound Identifiers
Compound number: MolPort-002-526-676
CAS number: 101-31-5

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000000000056
ZINC000100009280
MFCD00067306
(-)-Hyoscyamine
hyoscyamine
L-Hyoscyamine
(S)-(1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate

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
InChI key: RKUNBYITZUJHSG-FXUDXRNXSA-N

Calculated Properties
Molecular formula: C17H23NO3
Molecular weight: 289.375

Other

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2018 MolPort, v2.58, release date 17-10-2018 07:00 (+0200). All rights reserved.
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