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AG0003FJ

Name: (-)-Atropine
Brand: Angene Chemical
SKU: AG0003FJ

101-31-5 | (-)-Atropine

Chemical structure of (-)-Atropine, CAS 101-31-5

AG0003FJ

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CAS Number	101-31-5
Catalog Number	AG0003FJ(AGN-PC-0OQIPL)
Chemical Name	(-)-Atropine
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
MDL Number	MFCD00067306
Molecular Formula	C17H23NO3
Molecular Weight	289.3694
SMILES	O(C([C@H](CO)C1=CC=CC=C1)=O)[C@@H]2C[C@]3(N(C)[C@@](C2)(CC3)[H])[H]
UNII	PX44XO846X
Synonyms	Anaspaz, Atropine Sulfate, 3(S)-endo-Isomer, Atropine, 3(S)-endo-Isomer, Cytospaz, Hyoscyamine, Hyoscyamine Hydrobromide, Hyoscyamine Hydrochloride, Hyoscyamine Sulfate, Hyoscyamine Sulfate Anhydrous, L-Hyoscyamine, hyoscyamine, (-)-Hyoscyamine, 101-31-5, Daturine, (S)-Atropine, Duboisine, (-)-Atropine, L-Tropine tropate, (S)-(-)-Hyoscyamine, Hyoscyamine (L), 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, 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, (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, (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 (USP), MFCD00067306, ENDO-ATROPINE, (S)-(leo)-hyoscyamine, Anaspaz, Levbid, Levsin, Prestwick3_000233, ZINC56, AC1L4C8O, SCHEMBL41316, BSPBio_000305, MLS001304011, MLS002154242, MLS002222193, SCHEMBL249586, BPBio1_000337, SCHEMBL1649244, CHEMBL1234973, CHEMBL1331216, CHEMBL2449003, CHEBI:92712, [(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, CCG-220233, DB00424, MCULE-1764209130, NCGC00179608-01, AJ-07844, ST24034062, 5908-99-6, 5934-50-9, C02046, D00147, 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, [(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, Anaspaz, l-Hyopscyamine, L-Hyoscamine, L-Hyoscyamin, Hyoscyamine sulfate, Hyoscyamine [BAN], Hyoscyamine hydrochloride, D0NZ3Q, HYOSCYAMINE HYDROBROMIDE, Hyoscyamine sulfate anhydrous, 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, 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)-,

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

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CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited

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