AG00C2EB

Name: (1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(hydroxymethyl)-2-phenylpropanoate
Brand: Angene Chemical
SKU: AG00C2EB

2515-36-8 | (1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(hydroxymethyl)-2-phenylpropanoate

Chemical structure of (1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(hydroxymethyl)-2-phenylpropanoate, CAS 2515-36-8

AG00C2EB

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CAS Number	2515-36-8
Catalog Number	AG00C2EB(AGN-PC-0R0W92)
Chemical Name	(1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-(hydroxymethyl)-2-phenylpropanoate
IUPAC Name	[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-(hydroxymethyl)-2-phenylpropanoate
InChI	InChI=1S/C18H25NO4/c1-19-14-7-8-15(19)10-16(9-14)23-17(22)18(11-20,12-21)13-5-3-2-4-6-13/h2-6,14-16,20-21H,7-12H2,1H3/t14-,15+,16?
InChI Key	ICTCLIOSQZBOFS-XYPWUTKMSA-N
MDL Number	MFCD01733106
Molecular Formula	C18H25NO4
Molecular Weight	319.3954
SMILES	C(C(O[C@H]1C[C@@]2(N(C)[C@](C1)(CC2)[H])[H])=O)(CO)(CO)C3=CC=CC=C3
Synonyms	Oxymethylatropine, BRN 1549723, 2515-36-8, Tropic ester of alpha-oxymethyltropinic acid, Benzeneacetic acid, alpha,alpha-bis(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-ylester, endo-(+-)-, alpha,alpha-Bis(hydroxymethyl)benzeneacetic acid (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-3alpha-yl ester, AC1L44VG, 5-21-01-00242 (Beilstein Handbook Reference), ZINC101246660, ZINC103570019, LS-28630, [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-(hydroxymethyl)-2-phenylpropanoate, \|A-Hydroxymethyl Atropine, C18H25NO4, C18-H25-N-O4, CID200685, 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 2-(hydroxymethyl)-2-phenylhydracylate (ester),

Complexity	403
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	319.178g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	319.401g/mol
Monoisotopic Mass	319.178g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	70A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited