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101-31-5,MFCD00067306
Catalog No.:AA0003CR
101-31-5 | Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)-
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250mg
≥98%
1 week  
$92.00   $64.00
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500mg
≥98%
1 week  
$123.00   $86.00
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1g
≥98%
1 week  
$163.00   $114.00
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5g
≥98%
1 week  
$234.00   $164.00
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25g
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1 week  
$849.00   $594.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0003CR
Chemical Name:
Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)-
CAS Number:
101-31-5
Molecular Formula:
C17H23NO3
Molecular Weight:
289.3694
MDL Number:
MFCD00067306
IUPAC Name:
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-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-VFSICIBPSA-N
SMILES:
OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C
UNII:
PX44XO846X
Properties
Computed Properties
 
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
289.168g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.375g/mol
Monoisotopic Mass:
289.168g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
Anaspaz 
Atropine Sulfate, 3(S)-endo-Isomer 
hyoscyamine 
SR-01000799139 
I06-2035 
J-000364 
SR-01000799139-2 
BRD-K40530731-001-02-5 
BRD-K40530731-001-11-6 
UNII-7C0697DR9I component RKUNBYITZUJHSG-FXUDXRNXSA-N 
(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate 
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)(2R)-3-hydroxy-2-phenylpropanoate 
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate 
(-)-Hyoscyamine 
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate 
(2S)-2-Phenyl-3-hydroxypropionic acid (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3beta-yl ester 
[3(S)-endo]-a-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester 
l-Atropine 
Cystospaz 
Levsin 
1-Hyoscyamine 
Actoferrin 
ATROPINE 
Cytospaz 
101-31-5 
Anaspaz 
l-Hyopscyamine 
L-Hyoscamine 
L-Hyoscyamin 
Hyoscyamine sulfate 
Hyoscyamine [BAN] 
Hyoscyamine hydrochloride 
D0NZ3Q 
HYOSCYAMINE HYDROBROMIDE 
Hyoscyamine sulfate anhydrous 
Daturine 
Atropine, 3(S)-endo-Isomer 
Tropic acid, ester with tropine 
NSC61808 
Atropine Sulfate, 3(S)-endo-Isomer 
C17-H23-N-O3 
CID154417 
Tropic acid, (-)-, ester with tropine 
ACN-047533 
CS-O-01637 
A8369 
(S)-Atropine 
D064692 
(-)-Hyoscyamine, 97%, from Atropa belladonna L. - 10MG 10mg 
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate 
(alpha S)-alpha-(Hydroxymethyl)benzeneacetic acid (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester 
6835-16-1 
Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(S)-endo]- 
Benzeneacetic acid, .alpha.-(hydroxymethyl)-, endo-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)- 
Duboisine 
(-)-Atropine 
L-Tropine tropate 
(S)-(-)-Hyoscyamine 
Hyoscyamine (L) 
Atropine, 3(S)-endo-Isomer 
UNII-PX44XO846X 
Tropine, (-)-tropate 
Levbid 
PX44XO846X 
Levsinex SR 
CHEBI:17486 
Hyoscyamine, l- 
[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester 
(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE 
(2S)-(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate 
Cytospaz 
Hyocyamine 
tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate 
Tropine, (-)-tropate (ester) 
HSDB 3552 
Hyospaz 
Hyosyne 
EINECS 202-933-0 
Symax Duotab 
Levsin SL 
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate 
Hyoscyamine 
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate 
Symax SL 
Symax SR 
OIN 
SMR000718747 
Hyoscyamine [USP:BAN] 
1alphaH,5alphaH-Tropan-3alpha-ol (-)-tropate (ester) 
Hyoscyamin 
Hyoscyaminum 
Daturin 
Hyoscyamine Hydrobromide 
(leo)-atropine 
(S)atropine 
2arm 
Tropine-L-tropate 
(leo)-hyoscyamine 
hyoscyamine-daturine 
Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)- 
Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)- 
Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (alphaS)- 
Prestwick_273 
Hyoscyamine Hydrochloride 
Hyoscyamine (USP) 
MFCD00067306 
ENDO-ATROPINE 
(S)-(leo)-hyoscyamine 
Anaspaz, Levbid, Levsin 
Prestwick3_000233 
ZINC56 
AC1L4C8O 
SCHEMBL41316 
BSPBio_000305 
Hyoscyamine Sulfate 
MLS001304011 
MLS002154242 
MLS002222193 
SCHEMBL249586 
BPBio1_000337 
SCHEMBL1649244 
CHEMBL1234973 
CHEMBL1331216 
CHEMBL2449003 
CHEBI:92712 
Hyoscyamine Sulfate Anhydrous 
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate 
RKUNBYITZUJHSG-FXUDXRNXSA-N 
HMS2095P07 
HMS2231N11 
HMS3712P07 
Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)- 
AKOS015896332 
AKOS016843532 
ZINC100009280 
ZINC100068360 
L-Hyoscyamine 
CCG-220233 
DB00424 
MCULE-1764209130 
NCGC00179608-01 
AJ-07844 
ST24034062 
5908-99-6 
5934-50-9 
C02046 
D00147 
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Journal: Journal of natural products 20020801

Title: Molecular cloning, expression and characterization of tropinone reductase II, an enzyme of the SDR family in Solanum tuberosum (L.).

Journal: Plant molecular biology 20020201

Title: Urinary antispasmodic use and the risks of ventricular arrhythmia and sudden death in older patients.

Journal: Journal of the American Geriatrics Society 20020101

Title: Constitutive inhibitory action of muscarinic receptors on adenylyl cyclase in cardiac membranes and its stereospecific suppression by hyoscyamine.

Journal: Physiological research 20020101

Title: Tropane alkaloids in auxin-independent root cultures of Physochlaina physaloides.

Journal: Kokuritsu Iyakuhin Shokuhin Eisei Kenkyujo hokoku = Bulletin of National Institute of Health Sciences 20020101

Title: Distribution of hyoscyamine and scopolamine in Datura stramonium.

Journal: Fitoterapia 20010801

Title: Occurrence of cadaverine in hairy roots of Brugmansia candida.

Journal: Phytochemistry 20010701

Title: HPLC evaluation of diclofenac in transdermal therapeutic preparations.

Journal: International journal of pharmaceutics 20010417

Title: Decreased scopolamine yield in field-grown Duboisia plants regenerated from hairy roots.

Journal: Planta medica 20010401

Title: Sublingual hyoscyamine sulfate in combination with ketorolac tromethamine for ureteral colic: a randomized, double-blind, controlled trial.

Journal: Annals of emergency medicine 20010201

Title: Tropane alkaloid production by shoot culture of Duboisia myoporoides R. Br.

Journal: Phytochemistry 20010101

Title: Hairy roots of Brugmansia candida that grow without agitation: biotechnological implications.

Journal: Biotechnology progress 20010101

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